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Bicyclo[3.1.1]heptane-6-carbonitrile, 7-(phenylthio)-, stereoisomer
SpectraBase Compound ID HnqkbBa2l8M
InChI InChI=1S/C14H15NS/c15-9-13-11-7-4-8-12(13)14(11)16-10-5-2-1-3-6-10/h1-3,5-6,11-14H,4,7-8H2
InChIKey HRUWJMKKMNIORY-UHFFFAOYSA-N
Mol Weight 229.34 g/mol
Molecular Formula C14H15NS
Exact Mass 229.092521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66xvgKeF1Gm
Name Bicyclo[3.1.1]heptane-6-carbonitrile, 7-(phenylthio)-, stereoisomer
Alternate Name(s) 7-(Phenylsulfanyl)bicyclo[3.1.1]heptane-6-carbonitrile 7-syn-(phenylthio)norpinan-6-carbonitrile
CAS Registry Number 67132-80-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NS
InChI InChI=1S/C14H15NS/c15-9-13-11-7-4-8-12(13)14(11)16-10-5-2-1-3-6-10/h1-3,5-6,11-14H,4,7-8H2
InChIKey HRUWJMKKMNIORY-UHFFFAOYSA-N
Molecular Weight 229.341 g/mol
SMILES C1(C2CCCC1C2C#N)Sc1ccccc1
SPLASH splash10-01t9-0790000000-6fe7099f3212597ad469
Source of Spectrum K-111-1935-0
Wiley ID 1230892