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(Z,3aS,4S,7aR)-(4-Benzenesulfonyl-7a-methyl-octahydroinden-1-ylidene)acetic acid ethyl ester
SpectraBase Compound ID 7io6fJUxv0E
InChI InChI=1S/C20H26O4S/c1-3-24-19(21)14-15-11-12-17-18(10-7-13-20(15,17)2)25(22,23)16-8-5-4-6-9-16/h4-6,8-9,14,17-18H,3,7,10-13H2,1-2H3/b15-14-/t17-,18+,20+/m1/s1
InChIKey XTDQEAPNGDBMOS-VNFYNVETSA-N
Mol Weight 362.48 g/mol
Molecular Formula C20H26O4S
Exact Mass 362.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JnMVJlooMNZ
Name (Z,3aS,4S,7aR)-(4-Benzenesulfonyl-7a-methyl-octahydroinden-1-ylidene)acetic acid ethyl ester
Alternate Name(s) Ethyl (2Z)-[(3aS,4S,7aR)-7a-methyl-4-(phenylsulfonyl)octahydro-1H-inden-1-ylidene]ethanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O4S
InChI InChI=1S/C20H26O4S/c1-3-24-19(21)14-15-11-12-17-18(10-7-13-20(15,17)2)25(22,23)16-8-5-4-6-9-16/h4-6,8-9,14,17-18H,3,7,10-13H2,1-2H3/b15-14-/t17-,18+,20+/m1/s1
InChIKey XTDQEAPNGDBMOS-VNFYNVETSA-N
Molecular Weight 362.484 g/mol
SMILES [C@]1(S(=O)(=O)c2ccccc2)([C@@]2([C@@](\C(=C/C(=O)OCC)CC2)(C)CCC1)[H])[H]
SPLASH splash10-0002-2910000000-317720407ddc4735ece4
Source of Spectrum QC-10-1595-8
Wiley ID 871359