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

*Links on SpectraBase are not permalinks.
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoic acid
SpectraBase Compound ID 8VRcPjxcmHy
InChI InChI=1S/C13H13NO6S/c1-21(19,20)7-6-10(13(17)18)14-11(15)8-4-2-3-5-9(8)12(14)16/h2-5,10H,6-7H2,1H3,(H,17,18)
InChIKey LHFMZTWTJXSQGK-UHFFFAOYSA-N
Mol Weight 311.31 g/mol
Molecular Formula C13H13NO6S
Exact Mass 311.046358 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 ETRQKvez0m9
Name 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoic acid
Alternate Name(s) 2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonylbutanoic acid 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoic acid 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanoic acid 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoic acid 4-(Methylsulfonyl)-2-phthalimidobutyric acid 4-Mesyl-2-phthalimido-butyric acid
CAS Registry Number 146983-83-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO6S
InChI InChI=1S/C13H13NO6S/c1-21(19,20)7-6-10(13(17)18)14-11(15)8-4-2-3-5-9(8)12(14)16/h2-5,10H,6-7H2,1H3,(H,17,18)
InChIKey LHFMZTWTJXSQGK-UHFFFAOYSA-N
Molecular Weight 311.308 g/mol
SMILES OC(C(N1C(c2ccccc2C1=O)=O)CCS(=O)(=O)C)=O
SPLASH splash10-002r-9600000000-bc47208abfe5fa62ad6f
Wiley ID 1469304