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4-[(6-Methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid
SpectraBase Compound ID 8FVXZJtkktL
InChI InChI=1S/C12H12N2O3S/c1-7-2-3-8-9(6-7)18-12(13-8)14-10(15)4-5-11(16)17/h2-3,6H,4-5H2,1H3,(H,16,17)(H,13,14,15)
InChIKey HLVXGRVIOASREC-UHFFFAOYSA-N
Mol Weight 264.3 g/mol
Molecular Formula C12H12N2O3S
Exact Mass 264.056863 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2kG74iyiWbX
Name 4-[(6-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C12H12N2O3S/c1-7-2-3-8-9(6-7)18-12(13-8)14-10(15)4-5-11(16)17/h2-3,6H,4-5H2,1H3,(H,16,17)(H,13,14,15)
InChIKey HLVXGRVIOASREC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7777
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9012343; UBI_ID: UBI-007780
Temperature 318 °C