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1,1'-Bi(cycloheptane)(23183-11-1) MS
Product Name1,1'-Bi(cycloheptane)
CAS23183-11-1
Molecular FormulaC14H26
Molecular Weight194.36
InChIInChI=1S/C14H26/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14/h13-14H,1-12H2
InChIKey ARUKYTASOALXFG-UHFFFAOYSA-N
SmilesC1(C2CCCCCC2)CCCCCC1
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MassMS-IW-1709 bicycloheptyl C14H26 (Mass of molecular ion: 194)
Source Temperature: 270 °C Sample Temperature: 170 °C Reservoir, 75 eV
27.0 2.4 29.0 4.2 39.0 4.2 41.0 15.9 42.0 1.7 43.0 4.2 53.0 3.2 54.0 8.5 55.0 79.1 56.0 4.4 65.0 1.0 66.0 3.4 67.0 24.1 68.0 13.2 69.0 10.2 70.0 1.3 71.0 3.4 77.0 1.3 79.0 2.3 81.0 38.3 82.0 6.0 83.0 2.9 91.0 1.3 95.0 5.9 96.0 100.0 97.0 74.0 98.0 5.4 104.0 1.3 109.0 1.2 110.0 1.5 123.0 1.0 194.0 2.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H26 0.05 ml : 0.5 ml CDCl3 bicycloheptyl 
Assign. Shift(ppm)
A *1 1.661 B *2 1.59 C *3 1.53 D *3 1.46 E 1.38 F *1 1.38 G *2 1.249 ASSIGNED BY H-H COSY
Hz ppm Int.690.43 1.728 32 688.60 1.724 37 686.40 1.718 54 681.40 1.705 101 678.71 1.699 226 677.37 1.695 192 675.17 1.690 301 671.88 1.682 430 668.46 1.673 476 665.16 1.665 387 661.99 1.657 486 658.94 1.649 450 655.40 1.640 422 652.10 1.632 353 648.80 1.624 252 634.77 1.589 565 630.86 1.579 579 627.32 1.570 665 624.15 1.562 844 621.58 1.556 732 620.24 1.552 725 617.43 1.545 1000 613.65 1.536 727 612.06 1.532 613 607.91 1.522 405 607.06 1.519 336 602.78 1.509 130 600.46 1.503 143 594.60 1.488 373 590.82 1.479 386 586.43 1.468 512 585.21 1.465 499 581.79 1.456 480 578.49 1.448 346 577.03 1.444 282 576.29 1.442 287 574.83 1.439 487 571.53 1.431 454 568.73 1.424 408 565.19 1.415 445 563.23 1.410 439 561.16 1.405 303 559.81 1.401 363 558.72 1.399 344 556.27 1.392 629 552.98 1.384 505 549.56 1.376 369 546.63 1.368 649 543.46 1.360 680 540.04 1.352 317 538.21 1.347 304 537.35 1.345 317 535.03 1.339 414 534.30 1.337 433 532.23 1.332 365 529.30 1.325 158 523.32 1.310 52 523.07 1.309 52 514.28 1.287 403 510.74 1.278 373 504.64 1.263 420 501.22 1.255 628 497.80 1.246 326 495.00 1.239 269 491.46 1.230 484 487.92 1.221 317 481.69 1.206 175 478.15 1.197 124
in CDCl3
