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2-((R)-1-Hydroxy-3-oxobutyl)-1-benzothiophene-3-carbonitrile
SpectraBase Compound ID 3v1qXvJv94k
InChI InChI=1S/C13H11NO2S/c1-8(15)6-11(16)13-10(7-14)9-4-2-3-5-12(9)17-13/h2-5,11,16H,6H2,1H3/t11-/m1/s1
InChIKey WNUFPAKWWKNBMF-LLVKDONJSA-N
Mol Weight 245.3 g/mol
Molecular Formula C13H11NO2S
Exact Mass 245.05105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VVAU8cC30S
Name 2-((R)-1-Hydroxy-3-oxobutyl)-1-benzothiophene-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO2S
InChI InChI=1S/C13H11NO2S/c1-8(15)6-11(16)13-10(7-14)9-4-2-3-5-12(9)17-13/h2-5,11,16H,6H2,1H3/t11-/m1/s1
InChIKey WNUFPAKWWKNBMF-LLVKDONJSA-N
Molecular Weight 245.296 g/mol
SMILES O[C@@](c1c(c2c(cccc2)s1)C#N)(CC(=O)C)[H]
SPLASH splash10-0udj-2390000000-4501745043609a673994
Source of Spectrum F-68-4778-2f
Wiley ID 1708942