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2-(4-isothiocyanatobenzamido)acetic acid
SpectraBase Compound ID 6OZk3bDOGJS
InChI InChI=1S/C10H8N2O3S/c13-9(14)5-11-10(15)7-1-3-8(4-2-7)12-6-16/h1-4H,5H2,(H,11,15)(H,13,14)
InChIKey CGLBAAGBXSLYSD-UHFFFAOYSA-N
Mol Weight 236.24 g/mol
Molecular Formula C10H8N2O3S
Exact Mass 236.025563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hfn5kegaiDQ
Name 2-(4-isothiocyanatobenzamido)acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8N2O3S
InChI InChI=1S/C10H8N2O3S/c13-9(14)5-11-10(15)7-1-3-8(4-2-7)12-6-16/h1-4H,5H2,(H,11,15)(H,13,14)
InChIKey CGLBAAGBXSLYSD-UHFFFAOYSA-N
Molecular Weight 236.245 g/mol
SMILES N(C(c1ccc(N=C=S)cc1)=O)CC(=O)O
SPLASH splash10-03di-0900000000-023174390d9565925dc9
Source of Spectrum EMC-64-117-3
Synonyms 2-[[(4-isothiocyanatophenyl)-oxomethyl]amino]acetic acid 2-[(4-isothiocyanatophenyl)carbonylamino]ethanoic acid
Wiley ID 1735544