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

*Links on SpectraBase are not permalinks.
2-({2-[(2,2-Dimethylpropanoyl)amino]phenyl}thio)acetic acid
SpectraBase Compound ID swf93aBMAa
InChI InChI=1S/C13H17NO3S/c1-13(2,3)12(17)14-9-6-4-5-7-10(9)18-8-11(15)16/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey UBKQWVIZXPWKES-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 2XPSbTlsuV0
Name 2-({2-[(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)14-9-6-4-5-7-10(9)18-8-11(15)16/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey UBKQWVIZXPWKES-UHFFFAOYSA-N
Molecular Weight 267.343 g/mol
SMILES N(C(C(C)(C)C)=O)c1c(SCC(=O)O)cccc1
SPLASH splash10-0a6u-9500000000-a0d5d6b50ebf00423399
Source of Spectrum F-59-2896-4a
Synonyms 2-[[2-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]thio]acetic acid 2-[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylacetic acid 2-[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylethanoic acid
Wiley ID 1677758