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(1E)-3-Chloro-5-isopropyl-2-methyl-2,5-cyclohexadiene-1,4-dione 1-[O-(4-nitrobenzoyl)oxime]
SpectraBase Compound ID JRJRXH8BkDE
InChI InChI=1S/C17H15ClN2O5/c1-9(2)13-8-14(10(3)15(18)16(13)21)19-25-17(22)11-4-6-12(7-5-11)20(23)24/h4-9H,1-3H3/b19-14+
InChIKey DXUGHTACHPLHAG-XMHGGMMESA-N
Mol Weight 362.77 g/mol
Molecular Formula C17H15ClN2O5
Exact Mass 362.066949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6avTepNrFB
Name (1E)-3-Chloro-5-isopropyl-2-methyl-2,5-cyclohexadiene-1,4-dione 1-[O-(4-nitrobenzoyl)oxime]
CAS Registry Number 313480-08-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15ClN2O5
InChI InChI=1S/C17H15ClN2O5/c1-9(2)13-8-14(10(3)15(18)16(13)21)19-25-17(22)11-4-6-12(7-5-11)20(23)24/h4-9H,1-3H3/b19-14+
InChIKey DXUGHTACHPLHAG-XMHGGMMESA-N
Molecular Weight 362.769 g/mol
SMILES C1(=C(\C(=N\OC(c2ccc(N(=O)=O)cc2)=O)C=C(C1=O)C(C)C)C)Cl
SPLASH splash10-0udi-3900000000-28a48fcb76012cf0c00a
Source of Spectrum AD-0-2532-0
Synonyms 2,5-Cyclohexadiene-1,4-dione, 3-chloro-5-isopropyl-2-methyl-, 1-oxime, o-(4-nitrobenzoyl)- 4-Nitrobenzoic 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] 4-nitrobenzoate [(E)-(3-chloro-5-isopropyl-2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 4-nitrobenzoate [(E)-(3-chloranyl-2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)amino] 4-nitrobenzoate
Wiley ID 1426501