For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-({4-[(2,2-Dimethylpropanoyl)amino]phenyl}thio)acetic acid

View entire compound with spectra: 1 MS (GC)

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

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID xd7hOrB4pE
Name 2-({4-[(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)14-9-4-6-10(7-5-9)18-8-11(15)16/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey PGPNGXARNWWCCB-UHFFFAOYSA-N
Molecular Weight 267.343 g/mol
SMILES N(C(C(C)(C)C)=O)c1ccc(SCC(=O)O)cc1
SPLASH splash10-0a4i-9320000000-3b5acb13037d3f65499f
Source of Spectrum F-59-2896-4c
Synonyms 2-[[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]thio]acetic acid 2-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanylacetic acid 2-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanylethanoic acid
Wiley ID 1677756