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2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-isopropylphenyl)-5-nitro-2H-1,2,3-triazol-4-amine 3-oxide

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2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-isopropylphenyl)-5-nitro-2H-1,2,3-triazol-4-amine 3-oxide
SpectraBase Compound ID MkU6s8NLc0
InChI InChI=1S/C19H19N5O5/c1-12(2)13-3-5-14(6-4-13)20-18-19(24(26)27)21-22(23(18)25)15-7-8-16-17(11-15)29-10-9-28-16/h3-8,11-12,20H,9-10H2,1-2H3
InChIKey BXURUAFJPWTSCU-UHFFFAOYSA-N
Mol Weight 397.39 g/mol
Molecular Formula C19H19N5O5
Exact Mass 397.138619 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4jK8ahhdYNn
Name 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-isopropylphenyl)-5-nitro-2H-1,2,3-triazol-4-amine 3-oxide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.138618727 u
Formula C19H19N5O5
InChI InChI=1S/C19H19N5O5/c1-12(2)13-3-5-14(6-4-13)20-18-19(24(26)27)21-22(23(18)25)15-7-8-16-17(11-15)29-10-9-28-16/h3-8,11-12,20H,9-10H2,1-2H3
InChIKey BXURUAFJPWTSCU-UHFFFAOYSA-N
Molecular Weight 397.391 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5127
Solvent DMSO-d6
Source Vendor ID: NMR/12318391