3A,4,7,7A-TETRAHYDROINDENE(3048-65-5) 1H NMR
Product Name3A,4,7,7A-TETRAHYDROINDENE
CAS3048-65-5
Molecular FormulaC9H12
Molecular Weight120.19
InChIInChI=1S/C9H12/c1-2-5-9-7-3-6-8(9)4-1/h1-3,6,8-9H,4-5,7H2
InChIKey UFERIGCCDYCZLN-UHFFFAOYSA-N
SmilesC1C2C(CC=CC2)C=C1
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MassMS-IW-2206 3a,4,7,7a-tetrahydroindene C9H12 (Mass of molecular ion: 120)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 3.2 39.0 8.7 40.0 2.7 41.0 3.8 50.0 1.3 51.0 3.6 52.0 1.5 53.0 2.5 54.0 1.2 63.0 1.8 65.0 6.2 66.0 100.0 67.0 7.4 77.0 9.0 78.0 6.1 79.0 14.1 80.0 1.2 91.0 11.1 92.0 5.2 103.0 1.1 105.0 4.0 115.0 1.9 117.0 1.2 120.0 29.9 121.0 3.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H12 0.05 ml : 0.5 ml CDCl3 3a,4,7,7a-tetrahydroindene 
Assign. Shift(ppm)
A 5.83 B 5.670 C 5.612 D 2.811 E *1 2.487 F 2.414 G *2 2.241 J *3 2.148 K *1 1.998 L *2 1.86 M *3 1.82 ASSIGNED BY C-H COSY
Hz ppm Int.2338.87 5.853 288 2337.16 5.849 360 2336.55 5.847 413 2335.08 5.843 433 2334.47 5.842 557 2333.62 5.840 821 2332.76 5.838 1000 2330.57 5.832 986 2329.47 5.829 730 2328.00 5.826 468 2326.78 5.823 398 2326.05 5.821 367 2324.10 5.816 287 2273.07 5.688 204 2270.87 5.683 517 2268.68 5.677 508 2267.33 5.674 346 2265.14 5.668 778 2262.94 5.663 792 2260.86 5.658 353 2248.17 5.626 339 2246.09 5.621 801 2244.14 5.616 768 2242.07 5.611 419 2240.36 5.606 541 2238.40 5.601 530 2236.33 5.596 238 1129.15 2.826 304 1126.83 2.820 345 1124.88 2.815 242 1124.02 2.813 264 1123.54 2.812 267 1121.22 2.806 355 1119.02 2.800 326 1116.58 2.794 201 1115.84 2.793 185 1113.28 2.786 187 1009.16 2.526 296 1007.08 2.520 299 1001.10 2.505 436 998.90 2.500 440 996.70 2.494 182 993.65 2.487 284 991.46 2.481 293 987.67 2.472 244 985.60 2.467 580 983.28 2.461 578 981.08 2.455 368 974.61 2.439 280 973.02 2.435 226 970.21 2.428 255 968.63 2.424 354 966.55 2.419 376 963.99 2.413 200 962.16 2.408 396 960.33 2.403 319 955.57 2.392 257 953.98 2.388 200 910.77 2.279 246 907.59 2.271 195 903.08 2.260 275 899.66 2.252 209 895.63 2.242 222 894.41 2.238 196 892.33 2.233 209 890.01 2.227 217 888.31 2.223 241 887.57 2.221 200 886.84 2.220 232 882.32 2.208 228 873.17 2.185 185 869.02 2.175 195 868.65 2.174 195 867.68 2.172 234 856.32 2.143 234 852.91 2.135 335 851.07 2.130 201 849.61 2.126 222 845.95 2.117 273 809.57 2.026 295 807.37 2.021 424 805.05 2.015 427 802.98 2.010 328 793.95 1.987 293 791.87 1.982 407 789.55 1.976 352 787.23 1.970 244 748.29 1.873 351 746.58 1.869 524 743.16 1.860 443 741.09 1.855 538 738.65 1.849 329 733.89 1.837 220 731.32 1.830 423 728.15 1.822 369 725.59 1.816 400 725.22 1.815 403 723.75 1.811 300
in CDCl3
liquid film
