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2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoic acid

View entire compound with spectra: 2 MS (GC)

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)

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SpectraBase Spectrum ID CpLkhhmzpev
Name 4-(METHYLSULFONYL)-2-PHTHALIMIDOBUTYRIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 311.0460
SMILES OC(=O)C(CCS(C)(=O)=O)N1C(=O)c2ccccc2C1=O
SPLASH splash10-002r-9600000000-a2109c99cfa34b4322fa
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany