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5-Amino-1-(3,4,5-trimethoxybenzoyl)-1H-pyrazole-4-carbonitrile
SpectraBase Compound ID LYhpUM33k8k
InChI InChI=1S/C14H14N4O4/c1-20-10-4-8(5-11(21-2)12(10)22-3)14(19)18-13(16)9(6-15)7-17-18/h4-5,7H,16H2,1-3H3
InChIKey CHPOJCJNUWTFFT-UHFFFAOYSA-N
Mol Weight 302.29 g/mol
Molecular Formula C14H14N4O4
Exact Mass 302.101505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ccuqknKn5p
Name 5-Amino-1-(3,4,5-trimethoxybenzoyl)-1H-pyrazole-4-carbonitrile
CAS Registry Number 296890-81-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N4O4
InChI InChI=1S/C14H14N4O4/c1-20-10-4-8(5-11(21-2)12(10)22-3)14(19)18-13(16)9(6-15)7-17-18/h4-5,7H,16H2,1-3H3
InChIKey CHPOJCJNUWTFFT-UHFFFAOYSA-N
Molecular Weight 302.290 g/mol
SMILES Nc1[n](ncc1C#N)C(c1cc(OC)c(c(c1)OC)OC)=O
SPLASH splash10-0002-3911000000-617f9fa45f7cd9e04130
Source of Spectrum AD-0-2532-0
Synonyms 5-Amino-1-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbonitrile 5-Amino-1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-4-pyrazolecarbonitrile 5-Azanyl-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrazole-4-carbonitrile Pyrazole-4-carbonitrile, 5-amino-1-(3,4,5-trimethoxybenzoyl)-
Wiley ID 1428171