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2-Undecenoic acid, 2-acetyl-3-[[(4-methylphenyl)sulfonyl]methyl]-, ethyl ester, (Z)-
SpectraBase Compound ID 8pGyExds1ct
InChI InChI=1S/C23H34O5S/c1-5-7-8-9-10-11-12-20(22(19(4)24)23(25)28-6-2)17-29(26,27)21-15-13-18(3)14-16-21/h13-16H,5-12,17H2,1-4H3/b22-20-
InChIKey ZRAKSHRDOOYBMS-XDOYNYLZSA-N
Mol Weight 422.6 g/mol
Molecular Formula C23H34O5S
Exact Mass 422.212695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LggmoSjQ1Uv
Name 2-Undecenoic acid, 2-acetyl-3-[[(4-methylphenyl)sulfonyl]methyl]-, ethyl ester, (Z)-
Alternate Name(s) Ethyl (2Z)-2-acetyl-3-{[(4-methylphenyl)sulfonyl]methyl}-2-undecenoate
CAS Registry Number 108895-60-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O5S
InChI InChI=1S/C23H34O5S/c1-5-7-8-9-10-11-12-20(22(19(4)24)23(25)28-6-2)17-29(26,27)21-15-13-18(3)14-16-21/h13-16H,5-12,17H2,1-4H3/b22-20-
InChIKey ZRAKSHRDOOYBMS-XDOYNYLZSA-N
Molecular Weight 422.580 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)\C(=C/(C(=O)OCC)C(=O)C)CCCCCCCC
SPLASH splash10-0006-9020000000-7c9a76034c9ae2337fff
Source of Spectrum J-52-4268-7
Wiley ID 1378601