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acetic acid, [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio]-
SpectraBase Compound ID 1dPLcTEjI28
InChI InChI=1S/C11H10N2O2S/c12-5-8-4-7-2-1-3-9(7)13-11(8)16-6-10(14)15/h4H,1-3,6H2,(H,14,15)
InChIKey OQWUGRYMRCDWMR-UHFFFAOYSA-N
Mol Weight 234.27 g/mol
Molecular Formula C11H10N2O2S
Exact Mass 234.046299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3ZgjJ7OWZE
Name 2-[(3-cyano-1-pyrindan-1-ium-2-yl)thio]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10N2O2S
InChI InChI=1S/C11H10N2O2S/c12-5-8-4-7-2-1-3-9(7)13-11(8)16-6-10(14)15/h4H,1-3,6H2,(H,14,15)
InChIKey OQWUGRYMRCDWMR-UHFFFAOYSA-N
Molecular Weight 234.273 g/mol
SMILES OC(CSc1c(C#N)cc2c(n1)CCC2)=O
SPLASH splash10-000f-1900000000-8ffb363875435cfcfac0
Synonyms 2-[(3-cyano-1-pyrindan-2-yl)thio]acetic acid 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-2-yl)sulfanyl]acetate 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-2-yl)sulfanyl]ethanoate 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-2-yl)thio]acetate 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetic acid 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]ethanoic acid 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio]acetic acid [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetic acid
Wiley ID 1451192