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3-Phenylsulfanylmethyloctahydroindene-1,1-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 2iz7VfIbWqN
InChI InChI=1S/C20H26O4S/c1-23-18(21)20(19(22)24-2)12-14(16-10-6-7-11-17(16)20)13-25-15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3
InChIKey GXYNKPFQZBMAJE-UHFFFAOYSA-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 KOk1Xakz30f
Name 3-Phenylsulfanylmethyloctahydroindene-1,1-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O4S
InChI InChI=1S/C20H26O4S/c1-23-18(21)20(19(22)24-2)12-14(16-10-6-7-11-17(16)20)13-25-15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3
InChIKey GXYNKPFQZBMAJE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 362.484 g/mol
SMILES C1(CC(C2CCCCC12)CSc1ccccc1)(C(=O)OC)C(=O)OC
SPLASH splash10-000x-4900000000-9edf031c283c53002ac6
Source of Spectrum ASC-347-1587/SM19-13b
Synonyms Dimethyl 3-((phenylthio)methyl)octahydro-1H-indene-1,1-dicarboxylate
Wiley ID 1767732