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4-Heptenoic acid, 2-(methylsulfonyl)-4-propyl-, methyl ester, (E)-
SpectraBase Compound ID EbSpmhhhjlu
InChI InChI=1S/C12H22O4S/c1-5-7-10(8-6-2)9-11(12(13)16-3)17(4,14)15/h7,11H,5-6,8-9H2,1-4H3/b10-7+
InChIKey AUXJLFYLTLFNGK-JXMROGBWSA-N
Mol Weight 262.36 g/mol
Molecular Formula C12H22O4S
Exact Mass 262.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2geEArAKLRY
Name 4-Heptenoic acid, 2-(methylsulfonyl)-4-propyl-, methyl ester, (E)-
Alternate Name(s) (E)-Methyl-2-methylsulfonyl-4-n-propyl-4-heptene Methyl (4E)-2-(methylsulfonyl)-4-propyl-4-heptenoate (E)-2-methylsulfonyl-4-propyl-4-heptenoic acid methyl ester Methyl (E)-2-methylsulfonyl-4-propylhept-4-enoate Methyl (E)-2-methylsulfonyl-4-propyl-hept-4-enoate
CAS Registry Number 67428-08-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4S
InChI InChI=1S/C12H22O4S/c1-5-7-10(8-6-2)9-11(12(13)16-3)17(4,14)15/h7,11H,5-6,8-9H2,1-4H3/b10-7+
InChIKey AUXJLFYLTLFNGK-JXMROGBWSA-N
Molecular Weight 262.364 g/mol
SMILES C(S(=O)(=O)C)(C(=O)OC)C\C(=C\CC)CCC
SPLASH splash10-0ff0-5900000000-b7ee681fd5cba6e0d1db
Source of Spectrum C-100-3422-0
Wiley ID 1265459