John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=5CmlHMQe2mA SpectraBase Spectrum ID=A8J2tFKoHvQ

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N-((E)-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-4H-1,2,4-triazol-4-amine
SpectraBase Compound ID 5CmlHMQe2mA
InChI InChI=1S/C16H17N7O3/c1-11-16(23(24)25)12(2)22(20-11)8-14-6-13(4-5-15(14)26-3)7-19-21-9-17-18-10-21/h4-7,9-10H,8H2,1-3H3/b19-7+
InChIKey PVCLRPCTTQHAHW-FBCYGCLPSA-N
Mol Weight 355.36 g/mol
Molecular Formula C16H17N7O3
Exact Mass 355.139288 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A8J2tFKoHvQ
Name N-((E)-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-4H-1,2,4-triazol-4-amine
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2021 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H17N7O3/c1-11-16(23(24)25)12(2)22(20-11)8-14-6-13(4-5-15(14)26-3)7-19-21-9-17-18-10-21/h4-7,9-10H,8H2,1-3H3/b19-7+
InChIKey PVCLRPCTTQHAHW-FBCYGCLPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16089
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: D09934; Labnumber: KHAN-0379; SBI_ID: SBI-016092
SpectraBase Batch ID Tzcbcoaiam
Synonyms N-((E)-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-N-(4H-1,2,4-triazol-4-yl)amineN-({3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-4H-1,2,4-triazol-4-amine
Temperature 318 °C