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.alpha.-(5-Acetyl-3-nitro-2-thienyl)sulfanyl-phenylacetic acid
SpectraBase Compound ID BvOldvbPAdw
InChI InChI=1S/C14H11NO5S2/c1-8(16)11-7-10(15(19)20)14(21-11)22-12(13(17)18)9-5-3-2-4-6-9/h2-7,12H,1H3,(H,17,18)
InChIKey IGNJNCNPOZTNSC-UHFFFAOYSA-N
Mol Weight 337.36 g/mol
Molecular Formula C14H11NO5S2
Exact Mass 337.007865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HyTdSjoukE
Name .alpha.-(5-Acetyl-3-nitro-2-thienyl)sulfanyl-phenylacetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11NO5S2
InChI InChI=1S/C14H11NO5S2/c1-8(16)11-7-10(15(19)20)14(21-11)22-12(13(17)18)9-5-3-2-4-6-9/h2-7,12H,1H3,(H,17,18)
InChIKey IGNJNCNPOZTNSC-UHFFFAOYSA-N
Molecular Weight 337.364 g/mol
SMILES OC(C(Sc1c(cc(C(=O)C)s1)N(=O)=O)c1ccccc1)=O
SPLASH splash10-002r-7900000000-40d041dc6fdc330e517e
Source of Spectrum H1-55-262-12
Synonyms .alpha.-(5-Acetyl-3-nitro-2-thienylthio)phenylacetic acid .alpha.-(5-Acetyl-3-nitro-2-thienyl)phenylacetic acid [(5-acetyl-3-nitro-2-thienyl)sulfanyl](phenyl)acetic acid
Wiley ID 1564281