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

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N-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-2H-1,2,3-triazol-4-amine 3-oxide
SpectraBase Compound ID CM2tlbcpmTh
InChI InChI=1S/C17H14BrN5O5/c1-10-8-11(2-4-13(10)18)19-16-17(23(25)26)20-21(22(16)24)12-3-5-14-15(9-12)28-7-6-27-14/h2-5,8-9,19H,6-7H2,1H3
InChIKey WGXJIZHRRGXOHI-UHFFFAOYSA-N
Mol Weight 448.23 g/mol
Molecular Formula C17H14BrN5O5
Exact Mass 447.017832 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID hv03wNFz7z
Name N-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-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 447.017831566 u
Formula C17H14BrN5O5
InChI InChI=1S/C17H14BrN5O5/c1-10-8-11(2-4-13(10)18)19-16-17(23(25)26)20-21(22(16)24)12-3-5-14-15(9-12)28-7-6-27-14/h2-5,8-9,19H,6-7H2,1H3
InChIKey WGXJIZHRRGXOHI-UHFFFAOYSA-N
Molecular Weight 448.233 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5126
Solvent DMSO-d6
Source Vendor ID: NMR/12318390