2-NORBORNANEACETIC ACID(1007-01-8) MS
Product Name2-NORBORNANEACETIC ACID
CAS1007-01-8
Molecular FormulaC9H14O2
Molecular Weight154.21
InChIInChI=1S/C9H14O2/c10-9(11)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H,10,11)
InChIKey FYHBMPWRHCWNBC-UHFFFAOYSA-N
SmilesC12CC(CC1)CC2CC(O)=O
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MassMS-NW-5583 2-norbornaneacetic acid C9H14O2 (Mass of molecular ion: 154)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.1 18.0 2.2 26.0 1.4 27.0 15.6 28.0 4.2 29.0 8.9 31.0 1.2 38.0 1.6 39.0 24.8 40.0 6.1 41.0 34.7 42.0 3.6 43.0 11.2 44.0 1.1 45.0 5.4 50.0 1.7 51.0 4.4 52.0 2.7 53.0 13.6 54.0 20.0 55.0 19.1 56.0 2.4 57.0 3.4 58.0 1.1 60.0 7.4 61.0 1.7 63.0 1.3 65.0 6.4 66.0 29.7 67.0 100.0 68.0 52.5 69.0 6.8 70.0 4.8 71.0 13.1 72.0 1.5 73.0 2.0 77.0 8.5 78.0 2.8 79.0 34.7 80.0 12.6 81.0 11.9 82.0 6.8 83.0 5.9 84.0 4.0 85.0 46.9 86.0 5.6 87.0 20.5 88.0 1.4 91.0 5.1 92.0 6.9 93.0 10.0 94.0 87.7 95.0 62.7 96.0 5.0 97.0 3.1 99.0 1.0 100.0 1.3 107.0 3.8 108.0 16.4 109.0 6.5 111.0 1.7 112.0 5.1 113.0 3.8 118.0 1.0 121.0 1.8 124.0 1.0 125.0 10.8 126.0 7.3 136.0 19.8 137.0 2.8 139.0 1.5 154.0 6.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H14 O2 0.05 ml : 0.5 ml CDCl3 2-norbornaneacetic acid 
Assign. Shift(ppm)
A 11.5 B *1 2.311 C 2.223 D *1 2.176 E *2 2.020 F 1.895 G *2 1.53 to 1.48 J *3 1.302 K 1.23 L 1.14 M *3 1.12 N 1.08 ASSIGNED BY C-H COSY
Hz ppm Int.937.26 2.346 570 929.39 2.326 614 921.88 2.307 899 914.00 2.288 1000 888.72 2.224 627 879.75 2.202 862 872.06 2.183 921 864.36 2.163 496 856.67 2.144 578 808.86 2.024 670 806.30 2.018 619 763.80 1.912 302 758.86 1.899 326 756.11 1.892 311 751.17 1.880 296 624.96 1.564 395 622.77 1.559 345 620.57 1.553 222 616.54 1.543 364 612.33 1.533 589 610.31 1.528 494 608.11 1.522 453 604.27 1.512 575 601.52 1.506 876 597.67 1.496 783 590.90 1.479 328 589.61 1.476 277 588.15 1.472 272 586.87 1.469 349 527.70 1.321 308 526.05 1.317 439 524.22 1.312 344 517.81 1.296 406 515.98 1.292 565 514.33 1.287 437 501.33 1.255 243 491.62 1.231 442 483.93 1.211 342 481.73 1.206 311 466.16 1.167 388 464.33 1.162 342 458.65 1.148 430 456.82 1.144 548 454.80 1.138 651 453.34 1.135 635 452.42 1.133 599 450.96 1.129 525 447.66 1.121 256 446.19 1.117 331 444.73 1.113 486 443.45 1.110 560 442.35 1.107 595 439.42 1.100 371 437.40 1.095 364 434.65 1.088 370 433.19 1.084 265 429.89 1.076 306 426.59 1.068 237 424.95 1.064 302 422.38 1.057 313 420.73 1.053 219
in CDCl3
liquid film
