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7-Acetyl-5-oxo-2,3,5,6-tetrahydro-pyrrolo[2,1-b]thiazole-6-acetic acid
SpectraBase Compound ID 8flFZV2h2UH
InChI InChI=1S/C10H11NO4S/c1-5(12)8-6(4-7(13)14)9(15)11-2-3-16-10(8)11/h6H,2-4H2,1H3,(H,13,14)
InChIKey GWBRPLARZGKMOW-UHFFFAOYSA-N
Mol Weight 241.26 g/mol
Molecular Formula C10H11NO4S
Exact Mass 241.040879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55mKKoa7HyD
Name 7-Acetyl-5-oxo-2,3,5,6-tetrahydro-pyrrolo[2,1-b]thiazole-6-acetic acid
Alternate Name(s) (7-acetyl-5-oxo-2,3,5,6-tetrahydropyrrolo[2,1-b][1,3]thiazol-6-yl)acetic acid 7-Acetyl-5-oxopyrrolo[2,1-b]thiazole-6-acetic acid
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11NO4S
InChI InChI=1S/C10H11NO4S/c1-5(12)8-6(4-7(13)14)9(15)11-2-3-16-10(8)11/h6H,2-4H2,1H3,(H,13,14)
InChIKey GWBRPLARZGKMOW-UHFFFAOYSA-N
Molecular Weight 241.261 g/mol
SMILES OC(CC1C(=C2N(C1=O)CCS2)C(=O)C)=O
SPLASH splash10-0002-0900000000-df18e2cada478a5c0c87
Source of Spectrum SO-0-286-6
Wiley ID 1539854