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3,3-Dimethyl-4-phenylsulfanylmethylcyclopentane-1,1-dicarboxylic acid dimethyl ester
SpectraBase Compound ID FAvZ673tjP9
InChI InChI=1S/C18H24O4S/c1-17(2)12-18(15(19)21-3,16(20)22-4)10-13(17)11-23-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3
InChIKey CNYNLWRCPUSXLM-UHFFFAOYSA-N
Mol Weight 336.45 g/mol
Molecular Formula C18H24O4S
Exact Mass 336.13953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3O4AtZzDOK
Name 3,3-Dimethyl-4-phenylsulfanylmethylcyclopentane-1,1-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl 3,3-dimethyl-4-((phenylthio)methyl)cyclopentane-1,1-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O4S
InChI InChI=1S/C18H24O4S/c1-17(2)12-18(15(19)21-3,16(20)22-4)10-13(17)11-23-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3
InChIKey CNYNLWRCPUSXLM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 336.446 g/mol
SMILES C1(CC(C(C1)CSc1ccccc1)(C)C)(C(=O)OC)C(=O)OC
SPLASH splash10-0cki-4901000000-a54ef8134d6fde6772d3
Source of Spectrum ASC-347-1587/SM10-3g
Wiley ID 1767769