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2-[(2,2-Dimethylpropanoyl)amino]-5-(methylthio)benzoic acid
SpectraBase Compound ID Eise5afrj9N
InChI InChI=1S/C13H17NO3S/c1-13(2,3)12(17)14-10-6-5-8(18-4)7-9(10)11(15)16/h5-7H,1-4H3,(H,14,17)(H,15,16)
InChIKey RDTQDFCPLISTPX-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 9aaiVkpmw4s
Name 2-[(2,2-Dimethylpropanoyl)amino]-5-(methylthio)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO3S
InChI InChI=1S/C13H17NO3S/c1-13(2,3)12(17)14-10-6-5-8(18-4)7-9(10)11(15)16/h5-7H,1-4H3,(H,14,17)(H,15,16)
InChIKey RDTQDFCPLISTPX-UHFFFAOYSA-N
Molecular Weight 267.343 g/mol
SMILES N(C(C(C)(C)C)=O)c1c(C(=O)O)cc(cc1)SC
SPLASH splash10-067l-9740000000-934cedc8aa4755584753
Source of Spectrum F-59-2897-5
Wiley ID 1677755