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3-(1,3-benzodioxol-5-yl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID KM3R82VncXJ
InChI InChI=1S/C17H11N5O4S/c23-22(24)12-3-1-2-10(6-12)13-8-27-17-19-18-16(21(17)20-13)11-4-5-14-15(7-11)26-9-25-14/h1-7H,8-9H2
InChIKey UKTCEXNGXDAIKP-UHFFFAOYSA-N
Mol Weight 381.37 g/mol
Molecular Formula C17H11N5O4S
Exact Mass 381.053175 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6cGGEFKG4jB
Name 3-(1,3-benzodioxol-5-yl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.053175024 u
Formula C17H11N5O4S
InChI InChI=1S/C17H11N5O4S/c23-22(24)12-3-1-2-10(6-12)13-8-27-17-19-18-16(21(17)20-13)11-4-5-14-15(7-11)26-9-25-14/h1-7H,8-9H2
InChIKey UKTCEXNGXDAIKP-UHFFFAOYSA-N
Molecular Weight 381.366 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8477
Solvent DMSO-d6
Source Vendor ID: NMR/13219688