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N-(2,4-dimethoxyphenyl)-2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID 4q73GiVzDEa
InChI InChI=1S/C16H18N8O5S/c1-22-13(7-23-9-17-15(21-23)24(26)27)19-20-16(22)30-8-14(25)18-11-5-4-10(28-2)6-12(11)29-3/h4-6,9H,7-8H2,1-3H3,(H,18,25)
InChIKey AARKRDQTLGBTDM-UHFFFAOYSA-N
Mol Weight 434.43 g/mol
Molecular Formula C16H18N8O5S
Exact Mass 434.112087 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID dXAsC3owSa
Name N-(2,4-dimethoxyphenyl)-2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.112086881 u
Formula C16H18N8O5S
InChI InChI=1S/C16H18N8O5S/c1-22-13(7-23-9-17-15(21-23)24(26)27)19-20-16(22)30-8-14(25)18-11-5-4-10(28-2)6-12(11)29-3/h4-6,9H,7-8H2,1-3H3,(H,18,25)
InChIKey AARKRDQTLGBTDM-UHFFFAOYSA-N
Molecular Weight 434.431 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2263
Solvent DMSO-d6
Source Vendor ID: NMR/12260826; Lab Info: KOVA; Lab Number: 27