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

*Links on SpectraBase are not permalinks.
2-(1',3'-Dihydroisoindol-2'-yl)-4-(methylthio)butanoic acid
SpectraBase Compound ID DbavnhjZ7CG
InChI InChI=1S/C13H17NO2S/c1-17-7-6-12(13(15)16)14-8-10-4-2-3-5-11(10)9-14/h2-5,12H,6-9H2,1H3,(H,15,16)/t12-/m0/s1
InChIKey OMSDADZXSVCIFE-LBPRGKRZSA-N
Mol Weight 251.34 g/mol
Molecular Formula C13H17NO2S
Exact Mass 251.098 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 IG68i3tKRoK
Name 2-(1',3'-Dihydroisoindol-2'-yl)-4-(methylthio)butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO2S
InChI InChI=1S/C13H17NO2S/c1-17-7-6-12(13(15)16)14-8-10-4-2-3-5-11(10)9-14/h2-5,12H,6-9H2,1H3,(H,15,16)/t12-/m0/s1
InChIKey OMSDADZXSVCIFE-LBPRGKRZSA-N
Molecular Weight 251.344 g/mol
SMILES OC([C@@](N1Cc2ccccc2C1)(CCSC)[H])=O
SPLASH splash10-014i-0920000000-22081595fdc882f59629
Source of Spectrum OP-33-347-4
Synonyms (2S)-2-(1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoic acid (S)-2-(1,3-Dihydroisoindol-2-yl)-4-methylsulfanylbutanoic acid
Wiley ID 1577894