2-CHLOROBENZOIC ACID VINYL ESTER(15721-27-4) IR1
Product Name2-CHLOROBENZOIC ACID VINYL ESTER
CAS15721-27-4
Molecular FormulaC9H7ClO2
Molecular Weight182.6
InChIInChI=1S/C9H7ClO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h2-6H,1H2
InChIKey ZJIHUSWGELHYBJ-UHFFFAOYSA-N
SmilesC(OC=C)(=O)C1=CC=CC=C1Cl
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MassMS-NW-6647 vinyl o-chlorobenzoate C9H7ClO2 (Mass of molecular ion: 182)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.7 27.0 1.8 43.0 1.2 50.0 6.8 51.0 3.3 74.0 3.6 75.0 16.5 76.0 4.3 85.0 2.1 111.0 29.9 112.0 2.3 113.0 10.0 139.0 100.0 140.0 7.6 141.0 31.5 142.0 2.6
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C9 H7 Cl O2 0.05 ml : 0.5 ml CDCl3 vinyl o-chlorobenzoate 
Assign. Shift(ppm)
A 7.910 B 7.50 to 7.26 C 7.47 D 5.069 E 4.722 J(C,D)=14.0HZ J(C,E)=6.3HZ J(D,E)=-1.8HZ 400MHZ : HSP-42-171
Hz ppm Int.716.56 8.001 37 714.00 7.973 176 712.63 7.958 305 710.50 7.934 182 708.81 7.915 63 706.75 7.892 316 705.00 7.872 251 704.06 7.862 245 700.44 7.821 53 699.00 7.805 32 698.63 7.801 33 684.00 7.638 32 681.06 7.605 345 678.75 7.579 46 674.81 7.535 392 673.25 7.518 104 671.25 7.495 246 670.63 7.489 268 669.19 7.472 565 667.13 7.449 749 666.44 7.442 862 665.75 7.434 1000 664.00 7.415 593 662.38 7.396 509 660.94 7.380 504 659.19 7.361 210 657.56 7.343 255 655.19 7.316 284 652.69 7.288 105 651.38 7.274 256 650.00 7.258 126 648.00 7.236 40 646.25 7.216 80 461.44 5.153 399 459.69 5.133 412 447.50 4.997 344 445.81 4.978 371 426.88 4.767 403 425.13 4.747 368 420.63 4.697 400 418.88 4.678 336
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1H NMR 399.65 MHz C9 H7 Cl O2 0.05 ml : 0.5 ml CDCl3 vinyl o-chlorobenzoate Assign. Shift(ppm)
A 7.910 B 7.489 C 7.46 D 7.43 E 7.321 F 5.066 G 4.720 J(A,E)=2.2HZ J(B,F)=13.9HZ J(B,G)=6.3HZ J(C,D)=1.6HZ J(F,G)=-1.7HZ 90MHZ : HSP-06-118
Hz ppm Int.3166.50 7.924 331 3165.77 7.922 375 3165.16 7.920 370 3164.43 7.919 356 3161.25 7.911 40 3158.20 7.903 404 3157.10 7.900 417 3153.08 7.890 30 3152.34 7.888 31 3004.27 7.518 562 2997.92 7.502 610 2994.63 7.494 42 2990.23 7.483 627 2986.08 7.472 115 2985.35 7.470 158 2984.01 7.467 729 2978.03 7.452 661 2977.29 7.450 948 2975.71 7.446 1000 2970.58 7.433 561 2968.99 7.429 532 2967.77 7.426 122 2964.60 7.418 54 2963.87 7.417 63 2962.52 7.413 204 2960.94 7.409 185 2957.15 7.400 35 2955.57 7.396 31 2940.31 7.358 40 2933.47 7.341 378 2931.27 7.335 327 2927.00 7.324 277 2925.66 7.321 382 2924.80 7.319 314 2923.58 7.316 347 2921.02 7.309 40 2919.07 7.305 252 2916.99 7.299 253 2032.59 5.086 594 2030.88 5.082 622 2018.68 5.052 595 2016.97 5.047 595 1890.63 4.731 585 1888.79 4.727 616 1884.28 4.715 602 1882.57 4.711 593 1877.20 4.698 35 1875.37 4.693 32
in CDCl3
liquid film
