Benzyl butyl phthalate(85-68-7) MS
Product NameBenzyl butyl phthalate
CAS85-68-7
Molecular FormulaC19H20O4
Molecular Weight312.36
InChIInChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
InChIKey IRIAEXORFWYRCZ-UHFFFAOYSA-N
SmilesC1(C(OCCCC)=O)=CC=CC=C1C(OCC1=CC=CC=C1)=O
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MassMS-NW-8510 benzyl butyl phthalate C19H20O4 (Mass of molecular ion: 312)
Source Temperature: 270 °C Sample Temperature: 140 °C Reservoir, 75 eV
18.0 4.7 27.0 1.9 28.0 1.5 29.0 8.4 39.0 2.4 41.0 8.3 43.0 1.1 50.0 1.7 51.0 1.4 55.0 1.9 56.0 5.8 57.0 6.2 65.0 5.7 76.0 4.1 77.0 3.4 79.0 1.5 91.0 26.5 92.0 3.0 93.0 2.5 104.0 7.2 105.0 6.0 106.0 1.4 107.0 2.2 121.0 2.2 122.0 4.1 123.0 5.8 132.0 5.4 133.0 1.0 135.0 3.4 136.0 1.2 149.0 100.0 150.0 10.1 151.0 1.1 178.0 1.8 205.0 4.0 206.0 9.6 207.0 1.3 223.0 2.6 238.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C19 H20 O4 0.05 ml : 0.5 ml CDCl3 benzyl butyl phthalate 
Assign. Shift(ppm)
A *1 7.73 B *1 7.70 C *2 7.50 D *2 7.48 E 7.410 F 7.360 G 7.322 J 5.336 K 4.186 L 1.627 M 1.376 N 0.919
Hz ppm Int.3095.34 7.746 147 3094.97 7.745 157 3093.14 7.740 136 3090.70 7.734 156 3089.97 7.732 141 3088.75 7.729 136 3086.43 7.723 192 3085.94 7.722 188 3082.76 7.714 159 3082.28 7.713 179 3079.96 7.707 130 3078.74 7.704 133 3077.76 7.702 148 3075.44 7.696 153 3073.73 7.692 183 3073.24 7.690 172 3005.37 7.521 82 3000.12 7.507 285 2998.90 7.504 292 2997.80 7.502 242 2995.00 7.495 384 2992.19 7.488 217 2990.97 7.484 241 2989.99 7.482 231 2984.74 7.469 58 2968.38 7.428 164 2966.55 7.423 194 2964.60 7.418 94 2960.21 7.408 336 2959.23 7.405 302 2958.74 7.404 316 2956.42 7.398 67 2949.83 7.382 165 2948.36 7.378 155 2947.75 7.376 151 2946.04 7.372 87 2943.36 7.365 101 2942.14 7.362 279 2941.28 7.360 416 2939.70 7.356 163 2935.42 7.345 138 2933.96 7.342 219 2931.64 7.336 160 2930.05 7.332 209 2928.34 7.328 117 2926.03 7.322 69 2923.10 7.315 160 2132.69 5.337 871 1679.93 4.204 331 1673.10 4.187 645 1666.38 4.170 334 664.67 1.664 66 657.59 1.646 175 655.03 1.640 69 651.61 1.631 173 650.63 1.628 216 648.32 1.623 127 644.90 1.614 82 642.82 1.609 185 636.11 1.592 81 561.28 1.405 144 555.54 1.391 93 553.59 1.386 204 548.22 1.372 95 546.02 1.367 212 538.70 1.348 136 374.76 0.938 521 367.31 0.920 1000 359.99 0.901 442
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
