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3-amino-2-[(1,3-benzodioxol-5-ylamino)carbonyl]-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid
SpectraBase Compound ID HISmwcMlxKt
InChI InChI=1S/C16H11N3O6S/c17-11-7-4-8(16(22)23)13(20)19-15(7)26-12(11)14(21)18-6-1-2-9-10(3-6)25-5-24-9/h1-4H,5,17H2,(H,18,21)(H,19,20)(H,22,23)
InChIKey QXXSJVLAYPSURS-UHFFFAOYSA-N
Mol Weight 373.34 g/mol
Molecular Formula C16H11N3O6S
Exact Mass 373.036856 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ISuWd8CsTf5
Name 3-amino-2-[(1,3-benzodioxol-5-ylamino)carbonyl]-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.036856254 u
Formula C16H11N3O6S
InChI InChI=1S/C16H11N3O6S/c17-11-7-4-8(16(22)23)13(20)19-15(7)26-12(11)14(21)18-6-1-2-9-10(3-6)25-5-24-9/h1-4H,5,17H2,(H,18,21)(H,19,20)(H,22,23)
InChIKey QXXSJVLAYPSURS-UHFFFAOYSA-N
Molecular Weight 373.339 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2532
Solvent DMSO-d6
Source Vendor ID: NMR/12279588