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4-Dodecenoic acid, 4-(1-methylethenyl)-2-(phenylsulfonyl)-, methyl ester, (E)-
SpectraBase Compound ID 4JCGsneFHak
InChI InChI=1S/C22H32O4S/c1-5-6-7-8-9-11-14-19(18(2)3)17-21(22(23)26-4)27(24,25)20-15-12-10-13-16-20/h10,12-16,21H,2,5-9,11,17H2,1,3-4H3/b19-14+
InChIKey JYYQXLRNORXSOC-XMHGGMMESA-N
Mol Weight 392.6 g/mol
Molecular Formula C22H32O4S
Exact Mass 392.202131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6841CxW1pAY
Name 4-Dodecenoic acid, 4-(1-methylethenyl)-2-(phenylsulfonyl)-, methyl ester, (E)-
CAS Registry Number 111223-51-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O4S
InChI InChI=1S/C22H32O4S/c1-5-6-7-8-9-11-14-19(18(2)3)17-21(22(23)26-4)27(24,25)20-15-12-10-13-16-20/h10,12-16,21H,2,5-9,11,17H2,1,3-4H3/b19-14+
InChIKey JYYQXLRNORXSOC-XMHGGMMESA-N
Molecular Weight 392.554 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(C\C(C(=C)C)=C/CCCCCCC)C(=O)OC
SPLASH splash10-056u-9300000000-5b290396fb11376bf535
Source of Spectrum F-43-524-8
Synonyms Methyl (4E)-4-isopropenyl-2-(phenylsulfonyl)-4-dodecenoate Methyl 4-isopropenyl-2-phenylsulfonyl-4-dodecenoate Methyl 4-isopropenyl-2-phenylsulfonyl-dodec-4-enoate
Wiley ID 1365835