ALLYLCYCLOPENTANE(3524-75-2) 1H NMR
Product NameALLYLCYCLOPENTANE
CAS3524-75-2
Molecular FormulaC8H14
Molecular Weight110.2
InChIInChI=1S/C8H14/c1-2-5-8-6-3-4-7-8/h2,8H,1,3-7H2
InChIKey NHIDGVQVYHCGEK-UHFFFAOYSA-N
SmilesC1(CC=C)CCCC1
-
MassMS-NW-6769 allylcyclopentane C8H14 (Mass of molecular ion: 110)
Source Temperature: 200 °C Sample Temperature: 190 °C Reservoir, 75 eV
26.0 1.1 27.0 11.7 29.0 4.3 38.0 1.6 39.0 23.2 40.0 4.3 41.0 80.4 42.0 5.2 43.0 1.7 50.0 1.4 51.0 2.8 52.0 1.5 53.0 8.4 54.0 9.6 55.0 5.4 65.0 3.0 66.0 13.4 67.0 53.8 68.0 94.3 69.0 100.0 70.0 5.4 77.0 1.7 79.0 2.6 81.0 8.0 82.0 9.5 95.0 2.7 110.0 3.6
400 MHz in CDCl3
-
1H NMR 399.65 MHz C8 H14 0.05 ml : 0.5 ml CDCl3 allylcyclopentane 
Assign. Shift(ppm)
A 5.800 B 4.983 C 4.928 D 2.052 E 1.858 F *1 1.733 G *2 1.59 J *2 1.51 K *1 1.136 ASSIGNED BY H-H COSY.
Hz ppm Int.2332.28 5.836 331 2329.10 5.828 189 2322.14 5.811 521 2315.19 5.794 529 2312.01 5.786 213 2308.23 5.776 197 2305.05 5.768 390 2298.10 5.751 201 2002.93 5.012 226 2001.34 5.008 429 2000.61 5.006 379 1999.88 5.005 352 1999.15 5.003 576 1997.56 4.999 321 1985.84 4.969 217 1984.25 4.965 395 1983.52 4.964 352 1982.79 4.962 325 1982.06 4.960 536 1980.59 4.956 303 1977.17 4.948 275 1975.95 4.945 511 1974.85 4.942 525 1973.75 4.939 499 1972.66 4.936 309 1967.04 4.922 248 1965.82 4.919 489 1964.72 4.917 497 1963.62 4.914 464 1962.40 4.911 293 828.86 2.074 309 827.51 2.071 519 826.29 2.068 397 821.78 2.057 589 820.56 2.054 1000 819.34 2.051 791 814.82 2.039 372 813.48 2.036 624 812.26 2.033 482 750.00 1.877 295 742.55 1.859 388 735.35 1.840 304 701.42 1.756 274 700.07 1.752 282 698.36 1.748 252 696.66 1.744 402 695.31 1.740 303 694.34 1.738 309 692.14 1.732 247 691.16 1.730 328 690.43 1.728 316 689.33 1.725 391 687.38 1.720 296 685.55 1.716 292 684.20 1.712 314 646.36 1.618 265 644.17 1.612 236 643.19 1.610 268 641.85 1.607 281 639.40 1.600 399 637.94 1.597 460 635.86 1.592 336 633.67 1.586 343 631.47 1.581 419 628.54 1.573 316 627.20 1.570 208 626.10 1.567 186 625.24 1.565 195 624.15 1.562 234 623.17 1.560 252 621.46 1.556 197 619.63 1.551 297 618.77 1.549 300 614.50 1.538 260 612.67 1.534 267 611.33 1.530 346 610.47 1.528 381 609.86 1.526 394 606.93 1.519 365 606.57 1.518 369 603.76 1.511 459 602.05 1.507 398 600.46 1.503 257 599.61 1.501 321 598.51 1.498 337 596.07 1.492 302 594.73 1.489 265 463.13 1.159 347 462.16 1.157 296 460.45 1.153 225 457.52 1.145 331 455.57 1.140 399 452.51 1.133 230 450.81 1.129 360 449.34 1.125 337 447.63 1.121 283 444.95 1.114 228 443.24 1.110 295
in CDCl3
liquid film
4880 A,200 M,liquid
