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3-Cyclohexene-1-carbonitrile, 3-methoxy-2-(phenylthio)-, cis-
SpectraBase Compound ID wrdpq6lE0D
InChI InChI=1S/C14H15NOS/c1-16-13-9-5-6-11(10-15)14(13)17-12-7-3-2-4-8-12/h2-4,7-9,11,14H,5-6H2,1H3/t11-,14+/m0/s1
InChIKey BBUBNOUBEPSZPY-SMDDNHRTSA-N
Mol Weight 245.34 g/mol
Molecular Formula C14H15NOS
Exact Mass 245.087435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uCTfnQaPC5
Name 3-Cyclohexene-1-carbonitrile, 3-methoxy-2-(phenylthio)-, cis-
Alternate Name(s) (1S,2R)-3-methoxy-2-(phenylsulfanyl)-3-cyclohexene-1-carbonitrile cis-3-methoxy-2-(phenylthio)-3-cyclohexene-1-carbonitrile
CAS Registry Number 67315-82-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NOS
InChI InChI=1S/C14H15NOS/c1-16-13-9-5-6-11(10-15)14(13)17-12-7-3-2-4-8-12/h2-4,7-9,11,14H,5-6H2,1H3/t11-,14+/m0/s1
InChIKey BBUBNOUBEPSZPY-SMDDNHRTSA-N
Molecular Weight 245.340 g/mol
SMILES [C@]1(C(=CCC[C@]1(C#N)[H])OC)(Sc1ccccc1)[H]
SPLASH splash10-000i-0930000000-28e738758737941086f8
Source of Spectrum J-43-4056-0
Wiley ID 1247972