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(1E)-3-Chloro-5-isopropyl-2-methyl-2,5-cyclohexadiene-1,4-dione 1-(O-benzoyloxime)
SpectraBase Compound ID 21DykEA46da
InChI InChI=1S/C17H16ClNO3/c1-10(2)13-9-14(11(3)15(18)16(13)20)19-22-17(21)12-7-5-4-6-8-12/h4-10H,1-3H3/b19-14+
InChIKey IBOCWLYYSLJPHW-XMHGGMMESA-N
Mol Weight 317.77 g/mol
Molecular Formula C17H16ClNO3
Exact Mass 317.081871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6nOocneXkIo
Name (1E)-3-Chloro-5-isopropyl-2-methyl-2,5-cyclohexadiene-1,4-dione 1-(O-benzoyloxime)
CAS Registry Number 324051-67-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16ClNO3
InChI InChI=1S/C17H16ClNO3/c1-10(2)13-9-14(11(3)15(18)16(13)20)19-22-17(21)12-7-5-4-6-8-12/h4-10H,1-3H3/b19-14+
InChIKey IBOCWLYYSLJPHW-XMHGGMMESA-N
Molecular Weight 317.772 g/mol
SMILES C1(=C(\C(=N\OC(=O)c2ccccc2)C=C(C1=O)C(C)C)C)Cl
SPLASH splash10-0a4i-3900000000-f1d8eb69cbb212db02bc
Source of Spectrum AD-0-2532-0
Synonyms 2,5-Cyclohexadiene-1,4-dione, 3-chloro-5-isopropyl-2-methyl-, 1-oxime, o-benzoyl- benzoic acid [(E)-(3-chloro-2-methyl-4-oxo-5-propan-2-yl-1-cyclohexa-2,5-dienylidene)amino] ester [(E)-(3-chloro-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] benzoate [(E)-(3-chloro-5-isopropyl-2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] benzoate [(E)-(3-chloranyl-2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)amino] benzoate
Wiley ID 1426244