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2-(3-amino-2-methoxycarbonyl-benzothiophen-6-yl)sulfanylacetic acid

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

2-(3-amino-2-methoxycarbonyl-benzothiophen-6-yl)sulfanylacetic acid
SpectraBase Compound ID 7BFsOMeM9BM
InChI InChI=1S/C12H11NO4S2/c1-17-12(16)11-10(13)7-3-2-6(4-8(7)19-11)18-5-9(14)15/h2-4H,5,13H2,1H3,(H,14,15)
InChIKey CPDBJGICLLKUOX-UHFFFAOYSA-N
Mol Weight 297.34 g/mol
Molecular Formula C12H11NO4S2
Exact Mass 297.01295 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IkC9vXFCMRo
Name benzo[b]thiophene-2-carboxylic acid, 3-amino-6-[(carboxymethyl)thio]-,methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.012950182 u
Formula C12H11NO4S2
InChI InChI=1S/C12H11NO4S2/c1-17-12(16)11-10(13)7-3-2-6(4-8(7)19-11)18-5-9(14)15/h2-4H,5,13H2,1H3,(H,14,15)
InChIKey CPDBJGICLLKUOX-UHFFFAOYSA-N
Molecular Weight 297.343 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14321
Solvent DMSO-d6
Source Vendor ID: NMR/10270523; Lab Info: L-17; Lab Number: Kislitsyn-1369