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Methyl (E)-6-(4'-nitro-benzoyloxy)-4-oxo-2-hexenoate
SpectraBase Compound ID A3TZP0C91q2
InChI InChI=1S/C14H13NO7/c1-21-13(17)7-6-12(16)8-9-22-14(18)10-2-4-11(5-3-10)15(19)20/h2-7H,8-9H2,1H3/b7-6+
InChIKey AAZQXNDEGNLGBB-VOTSOKGWSA-N
Mol Weight 307.26 g/mol
Molecular Formula C14H13NO7
Exact Mass 307.069202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTCUFVA9Lun
Name Methyl (E)-6-(4'-nitro-benzoyloxy)-4-oxo-2-hexenoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO7
InChI InChI=1S/C14H13NO7/c1-21-13(17)7-6-12(16)8-9-22-14(18)10-2-4-11(5-3-10)15(19)20/h2-7H,8-9H2,1H3/b7-6+
InChIKey AAZQXNDEGNLGBB-VOTSOKGWSA-N
Molecular Weight 307.258 g/mol
SMILES c1(N(=O)=O)ccc(C(=O)OCCC(\C=C\C(=O)OC)=O)cc1
SPLASH splash10-0300-5900000000-17bc2558ccd7307b5f21
Source of Spectrum F-51-1507-1
Synonyms (4E)-6-methoxy-3,6-dioxo-4-hexenyl 4-nitrobenzoate 4-Nitrobenzoic acid[(E)-3,6-diketo-6-methoxy-hex-4-enyl]ester 4-Nitrobenzoic acid[(E)-6-methoxy-3,6-dioxohex-4-enyl]ester [(E)-6-methoxy-3,6-bis(oxidanylidene)hex-4-enyl]4-nitrobenzoate [(E)-6-methoxy-3,6-dioxo-hex-4-enyl]4-nitrobenzoate 4-Nitrobenzoic acid [(E)-6-methoxy-3,6-dioxohex-4-enyl] ester [(E)-6-methoxy-3,6-dioxohex-4-enyl] 4-nitrobenzoate [(E)-6-methoxy-3,6-dioxo-hex-4-enyl] 4-nitrobenzoate [(E)-6-methoxy-3,6-bis(oxidanylidene)hex-4-enyl] 4-nitrobenzoate
Wiley ID 790930