SORBIC ACID VINYL ESTER(42739-26-4) Raman
Product NameSORBIC ACID VINYL ESTER
CAS42739-26-4
Molecular FormulaC8H10O2
Molecular Weight138.16
InChIInChI=1S/C8H10O2/c1-3-5-6-7-8(9)10-4-2/h3-7H,2H2,1H3/b5-3+,7-6+
InChIKey ZHIUCPNDVATEDB-TWTPFVCWSA-N
SmilesC(OC=C)(=O)/C=C/C=C/C
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MassMS-NW-1021 vinyl trans,trans-2,4-hexadienoate C8H10O2 (Mass of molecular ion: 138)
Source Temperature: 260 °C Sample Temperature: 130 °C Reservoir, 75 eV
15.0 2.8 18.0 1.2 26.0 1.4 27.0 5.6 38.0 2.1 39.0 19.8 40.0 4.0 41.0 39.8 42.0 2.3 43.0 1.4 50.0 1.1 51.0 2.3 52.0 1.4 55.0 1.6 63.0 1.6 65.0 10.6 66.0 4.7 67.0 57.8 68.0 3.5 95.0 100.0 96.0 6.4 138.0 2.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H10 O2 0.04 ml : 0.5 ml CDCl3 vinyl trans,trans-2,4-hexadienoate 
Assign. Shift(ppm)
A 7.368 B 7.36 C 6.33 to 6.11 D 5.796 E 4.916 F 4.576 G 1.876
Hz ppm Int.670.06 7.482 575 663.69 7.411 634 656.06 7.326 703 651.25 7.272 192 649.75 7.255 785 647.25 7.228 203 560.50 6.259 751 556.31 6.212 337 554.19 6.188 342 552.75 6.172 716 525.63 5.870 492 511.00 5.706 428 510.31 5.698 298 447.69 4.999 633 446.19 4.983 665 433.69 4.843 540 432.19 4.826 625 413.75 4.620 617 412.19 4.603 616 407.38 4.549 627 405.88 4.532 568 170.63 1.906 1000 169.44 1.892 552 165.88 1.853 935 165.44 1.848 957
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
