7-ACETOXY-1-HEPTENE(5048-30-6) IR1
Product Name7-ACETOXY-1-HEPTENE
CAS5048-30-6
Molecular FormulaC9H16O2
Molecular Weight156.22
InChIInChI=1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h3H,1,4-8H2,2H3
InChIKey GNEUVQRNOYJQLS-UHFFFAOYSA-N
SmilesC(OC(=O)C)CCCCC=C
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MassMS-IW-7194 6-heptenyl acetate C9H16O2 (Mass of molecular ion: 156)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 2.2 15.0 4.2 18.0 2.8 27.0 11.0 28.0 3.8 29.0 13.8 31.0 1.7 39.0 19.6 40.0 3.7 41.0 29.1 42.0 10.9 43.0 100.0 44.0 4.7 45.0 1.5 51.0 1.7 52.0 1.0 53.0 10.0 54.0 85.8 55.0 74.4 56.0 4.7 57.0 2.6 58.0 2.4 61.0 9.0 65.0 2.0 66.0 8.9 67.0 91.9 68.0 68.9 69.0 6.7 70.0 1.0 71.0 3.9 72.0 1.3 73.0 8.2 77.0 1.7 79.0 5.6 80.0 2.2 81.0 51.4 82.0 4.0 83.0 1.2 85.0 1.4 91.0 1.4 93.0 1.1 94.0 1.3 95.0 9.0 96.0 24.4 97.0 4.0 98.0 2.0 108.0 1.3 114.0 2.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H16 O2 0.05 ml : 0.5 ml CDCl3 6-heptenyl acetate 
Assign. Shift(ppm)
A 5.796 B 5.001 C 4.945 D 4.056 E 2.06 F 2.041 G 1.631 J 1.40
Hz ppm Int.2330.93 5.833 50 2320.68 5.807 75 2313.84 5.790 77 2310.30 5.781 31 2307.13 5.773 31 2303.59 5.765 58 2009.64 5.029 40 2008.06 5.025 83 2005.98 5.020 89 2004.39 5.016 43 1992.55 4.986 37 1990.97 4.982 76 1988.89 4.977 82 1987.30 4.973 41 1983.28 4.963 47 1982.06 4.960 86 1981.08 4.958 72 1979.98 4.955 74 1978.76 4.952 40 1973.14 4.938 44 1971.92 4.935 82 1970.83 4.932 67 1969.85 4.929 69 1968.63 4.926 37 1627.81 4.074 180 1621.09 4.057 341 1614.38 4.040 179 833.98 2.087 41 832.76 2.084 35 827.27 2.070 113 819.70 2.052 130 815.92 2.042 1000 805.42 2.016 30 666.75 1.669 37 659.91 1.652 95 652.34 1.633 114 649.41 1.625 34 645.39 1.615 99 638.55 1.598 37 577.51 1.446 38 576.05 1.442 37 574.83 1.439 39 572.63 1.433 32 569.46 1.425 74 568.24 1.422 71 567.63 1.421 70 565.31 1.415 51 562.26 1.407 98 560.79 1.404 100 558.35 1.398 83 557.50 1.395 88 555.91 1.391 94 555.18 1.390 90 552.98 1.384 75 552.00 1.382 85 549.80 1.376 56 548.10 1.372 46 545.29 1.365 76 541.02 1.354 41 539.67 1.351 33 536.38 1.343 33
in CDCl3
liquid film
