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2-({3-[(2,2-Dimethylpropanoyl)amino]phenyl}thio)acetic acid
SpectraBase Compound ID GxedaKi1tJu
InChI InChI=1S/C13H17NO3S/c1-13(2,3)12(17)14-9-5-4-6-10(7-9)18-8-11(15)16/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey OEIHWBDBHHVFDH-UHFFFAOYSA-N
Mol Weight 267.34 g/mol
Molecular Formula C13H17NO3S
Exact Mass 267.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1dgVg7VX70w
Name 2-({3-[(2,2-Dimethylpropanoyl)amino]phenyl}thio)acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO3S
InChI InChI=1S/C13H17NO3S/c1-13(2,3)12(17)14-9-5-4-6-10(7-9)18-8-11(15)16/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey OEIHWBDBHHVFDH-UHFFFAOYSA-N
Molecular Weight 267.343 g/mol
SMILES N(C(C(C)(C)C)=O)c1cc(SCC(=O)O)ccc1
SPLASH splash10-0ab9-9260000000-b960ce9b75bdc965b5ca
Source of Spectrum F-59-2896-4b
Wiley ID 1677757