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trans and cis-[2-(phenylthio)cyclopentyl]acetonitrile
SpectraBase Compound ID ILKoiMm1Cvw
InChI InChI=1S/C13H15NS/c14-10-9-11-5-4-8-13(11)15-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-9H2/t11-,13+/m1/s1
InChIKey CPRUDNIJZBGOEB-YPMHNXCESA-N
Mol Weight 217.33 g/mol
Molecular Formula C13H15NS
Exact Mass 217.092521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80CinuPgYQD
Name trans and cis-[2-(phenylthio)cyclopentyl]acetonitrile
CAS Registry Number 99965-87-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NS
InChI InChI=1S/C13H15NS/c14-10-9-11-5-4-8-13(11)15-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-9H2/t11-,13+/m1/s1
InChIKey CPRUDNIJZBGOEB-YPMHNXCESA-N
Molecular Weight 217.330 g/mol
SMILES C(#N)C[C@@]1([C@@](Sc2ccccc2)(CCC1)[H])[H]
SPLASH splash10-03di-1920000000-a4930003cfb46cabbdf8
Source of Spectrum J-51-846-13
Synonyms [(1R,2S)-2-(phenylsulfanyl)cyclopentyl]acetonitrile
Wiley ID 1216740