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1,3-benzodioxole-5-carboxamide, N-[3-[(2-hydroxyethyl)thio]-5-nitrophenyl]-
SpectraBase Compound ID 7uYADZnNbjS
InChI InChI=1S/C16H14N2O6S/c19-3-4-25-13-7-11(6-12(8-13)18(21)22)17-16(20)10-1-2-14-15(5-10)24-9-23-14/h1-2,5-8,19H,3-4,9H2,(H,17,20)
InChIKey MXLKSHWFYLMHNO-UHFFFAOYSA-N
Mol Weight 362.36 g/mol
Molecular Formula C16H14N2O6S
Exact Mass 362.057257 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6wLd261bqFa
Name 1,3-benzodioxole-5-carboxamide, N-[3-[(2-hydroxyethyl)thio]-5-nitrophenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.057257347 u
Formula C16H14N2O6S
InChI InChI=1S/C16H14N2O6S/c19-3-4-25-13-7-11(6-12(8-13)18(21)22)17-16(20)10-1-2-14-15(5-10)24-9-23-14/h1-2,5-8,19H,3-4,9H2,(H,17,20)
InChIKey MXLKSHWFYLMHNO-UHFFFAOYSA-N
Molecular Weight 362.356 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17099
Solvent DMSO-d6
Source Vendor ID: NMR/11210905; Lab Info: DUT; Lab Number: DUT-dso0232