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Benzoic acid, 4-nitro-, 2-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)-1-phenylhydrazide
SpectraBase Compound ID CglKo9wXOub
InChI InChI=1S/C21H21N3O4/c1-21(2)13-16(12-19(25)14-21)22-23(17-6-4-3-5-7-17)20(26)15-8-10-18(11-9-15)24(27)28/h3-12,22H,13-14H2,1-2H3
InChIKey NGMMONDCAYZRRL-UHFFFAOYSA-N
Mol Weight 379.42 g/mol
Molecular Formula C21H21N3O4
Exact Mass 379.153206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKiCHHxHupM
Name Benzoic acid, 4-nitro-, 2-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)-1-phenylhydrazide
CAS Registry Number 77435-17-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N3O4
InChI InChI=1S/C21H21N3O4/c1-21(2)13-16(12-19(25)14-21)22-23(17-6-4-3-5-7-17)20(26)15-8-10-18(11-9-15)24(27)28/h3-12,22H,13-14H2,1-2H3
InChIKey NGMMONDCAYZRRL-UHFFFAOYSA-N
Molecular Weight 379.416 g/mol
SMILES N(C1=CC(=O)CC(C1)(C)C)N(C(c1ccc(N(=O)=O)cc1)=O)c1ccccc1
SPLASH splash10-0fc0-9643000000-6042d93fdf9df603d905
Source of Spectrum KC-1981-640-0
Synonyms 3-(N'-4-nitrobenzoyl-N'-phenylhydrazino)-5,5-dimethyl-cyclohex-2-en-1-one N'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)-4-nitro-N-phenylbenzohydrazide
Wiley ID 1359281