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1H-1,2,3-triazole-4-carboxamide, 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(5-chloro-2-methylphenyl)-

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1H-1,2,3-triazole-4-carboxamide, 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(5-chloro-2-methylphenyl)-
SpectraBase Compound ID De77nFXZ7aO
InChI InChI=1S/C18H16ClN5O3/c1-10-2-4-12(19)7-13(10)24-17(20)16(22-23-24)18(25)21-8-11-3-5-14-15(6-11)27-9-26-14/h2-7H,8-9,20H2,1H3,(H,21,25)
InChIKey BMSCMLDUARIVJA-UHFFFAOYSA-N
Mol Weight 385.81 g/mol
Molecular Formula C18H16ClN5O3
Exact Mass 385.094167 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LYff6dyXxXw
Name 1H-1,2,3-triazole-4-carboxamide, 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(5-chloro-2-methylphenyl)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H16ClN5O3/c1-10-2-4-12(19)7-13(10)24-17(20)16(22-23-24)18(25)21-8-11-3-5-14-15(6-11)27-9-26-14/h2-7H,8-9,20H2,1H3,(H,21,25)
InChIKey BMSCMLDUARIVJA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_4650
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: F22940; Labnumber: KHPAR-S1467-0192