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2-Octenoic acid, 3,7-dimethyl-8-[[(4-methylphenyl)sulfonyl]oxy]-, methyl ester, [S-(E)]-
SpectraBase Compound ID EkLnrL2E2NM
InChI InChI=1S/C18H26O5S/c1-14-8-10-17(11-9-14)24(20,21)23-13-16(3)7-5-6-15(2)12-18(19)22-4/h8-12,16H,5-7,13H2,1-4H3/b15-12+/t16-/m0/s1
InChIKey ZDTWLFMZMFEKGD-STTHAQSSSA-N
Mol Weight 354.46 g/mol
Molecular Formula C18H26O5S
Exact Mass 354.150095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CA6LUv0F3Rv
Name 2-Octenoic acid, 3,7-dimethyl-8-[[(4-methylphenyl)sulfonyl]oxy]-, methyl ester, [S-(E)]-
Alternate Name(s) Methyl (2E,7S)-3,7-dimethyl-8-{[(4-methylphenyl)sulfonyl]oxy}-2-octenoate Methyl (E)-(S)-(+)-3,7-dimethyl-8-[(p-tolylsulfonyl)oxy]-2-octenoate
CAS Registry Number 116163-83-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O5S
InChI InChI=1S/C18H26O5S/c1-14-8-10-17(11-9-14)24(20,21)23-13-16(3)7-5-6-15(2)12-18(19)22-4/h8-12,16H,5-7,13H2,1-4H3/b15-12+/t16-/m0/s1
InChIKey ZDTWLFMZMFEKGD-STTHAQSSSA-N
Molecular Weight 354.461 g/mol
SMILES c1(S(OC[C@](CCC\C(=C\C(=O)OC)C)(C)[H])(=O)=O)ccc(cc1)C
SPLASH splash10-0hrc-1900000000-4f3a74a5ec1ee87aaaaa
Source of Spectrum F-43-4484-10
Wiley ID 1344438