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4-Oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)butanoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)butanoic acid
SpectraBase Compound ID EdwBX1dLC6c
InChI InChI=1S/C11H14N2O3S/c14-9(5-6-10(15)16)13-11-12-7-3-1-2-4-8(7)17-11/h1-6H2,(H,15,16)(H,12,13,14)
InChIKey QQEFKNLDHRBWOM-UHFFFAOYSA-N
Mol Weight 254.3 g/mol
Molecular Formula C11H14N2O3S
Exact Mass 254.072513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5FJwtWibXG
Name 4-Oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)butanoic acid
CAS Registry Number 107811-09-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14N2O3S
InChI InChI=1S/C11H14N2O3S/c14-9(5-6-10(15)16)13-11-12-7-3-1-2-4-8(7)17-11/h1-6H2,(H,15,16)(H,12,13,14)
InChIKey QQEFKNLDHRBWOM-UHFFFAOYSA-N
Molecular Weight 254.304 g/mol
SMILES N(c1nc2CCCCc2s1)C(CCC(=O)O)=O
SPLASH splash10-0udi-6910000000-2dbd52c1d26c4b43d494
Source of Spectrum AD-0-2532-0
Synonyms 4-keto-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)butyric acid 4-Oxidanylidene-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)butanoic acid Glutaric acid monoamide, N-(4,5-tetramethylenethiazol-2-yl)-
Wiley ID 1422430