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(1S,3aS,4S,7aS)-(4-Benzenesulfonyl-7a-methyl-octahydroinden-1-yl)acetic acid ethyl ester
SpectraBase Compound ID ByBP7ljUL1f
InChI InChI=1S/C20H28O4S/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/h4-6,8-9,15,17-18H,3,7,10-14H2,1-2H3/t15-,17+,18-,20-/m0/s1
InChIKey UPUFKIZSLRDPSC-NFBUACBFSA-N
Mol Weight 364.5 g/mol
Molecular Formula C20H28O4S
Exact Mass 364.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BuqPDZRhSRt
Name (1S,3aS,4S,7aS)-(4-Benzenesulfonyl-7a-methyl-octahydroinden-1-yl)acetic acid ethyl ester
Alternate Name(s) Ethyl[(1S,3aS,4S,7aS)-7a-methyl-4-(phenylsulfonyl)octahydro-1H-inden-1-yl]acetate
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Formula C20H28O4S
InChI InChI=1S/C20H28O4S/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/h4-6,8-9,15,17-18H,3,7,10-14H2,1-2H3/t15-,17+,18-,20-/m0/s1
InChIKey UPUFKIZSLRDPSC-NFBUACBFSA-N
Molecular Weight 364.500 g/mol
SMILES [C@]1(S(=O)(=O)c2ccccc2)([C@@]2([C@@]([C@](CC(=O)OCC)(CC2)[H])(C)CCC1)[H])[H]
SPLASH splash10-000i-1910000000-7ea51dd33968b92b19a7
Source of Spectrum QC-10-1595-9
Wiley ID 871358