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(4Z)-2-Isopropyl-5-methyl-2,5-cyclohexadiene-1,4-dione 4-(O-benzoyloxime)
SpectraBase Compound ID EeUEoa7QRa8
InChI InChI=1S/C17H17NO3/c1-11(2)14-10-15(12(3)9-16(14)19)18-21-17(20)13-7-5-4-6-8-13/h4-11H,1-3H3/b18-15-
InChIKey YUCBVFKQMCQQFG-SDXDJHTJSA-N
Mol Weight 283.33 g/mol
Molecular Formula C17H17NO3
Exact Mass 283.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7CVM669hZd
Name (4Z)-2-Isopropyl-5-methyl-2,5-cyclohexadiene-1,4-dione 4-(O-benzoyloxime)
CAS Registry Number 39870-46-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO3
InChI InChI=1S/C17H17NO3/c1-11(2)14-10-15(12(3)9-16(14)19)18-21-17(20)13-7-5-4-6-8-13/h4-11H,1-3H3/b18-15-
InChIKey YUCBVFKQMCQQFG-SDXDJHTJSA-N
Molecular Weight 283.327 g/mol
SMILES C1(=C\C(=N\OC(=O)c2ccccc2)C(=CC1=O)C)C(C)C
SPLASH splash10-0a4i-4900000000-d3a5a2762bfd5141b379
Source of Spectrum AD-0-2532-0
Synonyms Benzoic acid, (3-isopropyl-6-methyl-4-oxo-2,5-cyclohexadienylidene)amino ester benzoic acid [(Z)-(2-methyl-4-oxo-5-propan-2-yl-1-cyclohexa-2,5-dienylidene)amino] ester [(Z)-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] benzoate [(Z)-(5-isopropyl-2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] benzoate [(Z)-(2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)amino] benzoate
Wiley ID 1422475