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N-(2-chloro-4-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-(2-chloro-4-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-2H-1,2,3-triazol-4-amine 3-oxide
SpectraBase Compound ID AqzhmimLdpB
InChI InChI=1S/C17H14ClN5O5/c1-10-2-4-13(12(18)8-10)19-16-17(23(25)26)20-21(22(16)24)11-3-5-14-15(9-11)28-7-6-27-14/h2-5,8-9,19H,6-7H2,1H3
InChIKey DYZDXNYCPZCSEA-UHFFFAOYSA-N
Mol Weight 403.78 g/mol
Molecular Formula C17H14ClN5O5
Exact Mass 403.068346 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 97EcA2BZJyV
Name N-(2-chloro-4-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 403.068346266 u
Formula C17H14ClN5O5
InChI InChI=1S/C17H14ClN5O5/c1-10-2-4-13(12(18)8-10)19-16-17(23(25)26)20-21(22(16)24)11-3-5-14-15(9-11)28-7-6-27-14/h2-5,8-9,19H,6-7H2,1H3
InChIKey DYZDXNYCPZCSEA-UHFFFAOYSA-N
Molecular Weight 403.782 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5125
Solvent DMSO-d6
Source Vendor ID: NMR/12318389