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[2,5-Dioxo-1-(m-tolyl)-3-pyrrolidinylthio]acetic acid

View entire compound with spectra: 2 MS (GC)

[2,5-Dioxo-1-(m-tolyl)-3-pyrrolidinylthio]acetic acid
SpectraBase Compound ID LJrGlaGmplG
InChI InChI=1S/C13H13NO4S/c1-8-3-2-4-9(5-8)14-11(15)6-10(13(14)18)19-7-12(16)17/h2-5,10H,6-7H2,1H3,(H,16,17)
InChIKey FZAKPWNPYSKUAE-UHFFFAOYSA-N
Mol Weight 279.31 g/mol
Molecular Formula C13H13NO4S
Exact Mass 279.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Uktey88OwG
Name [2,5-DIOXO-1-(M-TOLYL)-3-PYRROLIDINYLTHIO]ACETIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H13NO4S
InChI InChI=1S/C13H13NO4S/c1-8-3-2-4-9(5-8)14-11(15)6-10(13(14)18)19-7-12(16)17/h2-5,10H,6-7H2,1H3,(H,16,17)
InChIKey FZAKPWNPYSKUAE-UHFFFAOYSA-N
Molecular Weight 279.0562
SMILES OC(=O)CSC1C(=O)N(c2cccc(C)c2)C(=O)C1
SPLASH splash10-052f-9200000000-f83ecc5c9542e0c7a3ef
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany