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3-Cyano-4-phenylsulfanylmethylcyclopentane-1,1-dicarboxylic acid diethyl ester
SpectraBase Compound ID 8USsvahV5D
InChI InChI=1S/C19H23NO4S/c1-3-23-17(21)19(18(22)24-4-2)10-14(12-20)15(11-19)13-25-16-8-6-5-7-9-16/h5-9,14-15H,3-4,10-11,13H2,1-2H3
InChIKey XZDQVPMNLQFAHY-UHFFFAOYSA-N
Mol Weight 361.46 g/mol
Molecular Formula C19H23NO4S
Exact Mass 361.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GP3RkAHgv6w
Name 3-Cyano-4-phenylsulfanylmethylcyclopentane-1,1-dicarboxylic acid diethyl ester
Alternate Name(s) Diethyl 3-cyano-4-((phenylthio)methyl)cyclopentane-1,1-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23NO4S
InChI InChI=1S/C19H23NO4S/c1-3-23-17(21)19(18(22)24-4-2)10-14(12-20)15(11-19)13-25-16-8-6-5-7-9-16/h5-9,14-15H,3-4,10-11,13H2,1-2H3
InChIKey XZDQVPMNLQFAHY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 361.456 g/mol
SMILES C1(CC(C(C1)CSc1ccccc1)C#N)(C(=O)OCC)C(=O)OCC
SPLASH splash10-0229-3911000000-c380e7378ca36f2503c6
Source of Spectrum ASC-347-1587/SM10-3f
Wiley ID 1767768