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Butanoic acid, 4-(4-chloro-2-nitrophenylamino)-4-oxo-, allyl ester
SpectraBase Compound ID 2WHNaEZzhK3
InChI InChI=1S/C13H13ClN2O5/c1-2-7-21-13(18)6-5-12(17)15-10-4-3-9(14)8-11(10)16(19)20/h2-4,8H,1,5-7H2,(H,15,17)
InChIKey ZZHLFFFRJPVIFX-UHFFFAOYSA-N
Mol Weight 312.71 g/mol
Molecular Formula C13H13ClN2O5
Exact Mass 312.051299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFWGCv7pRcc
Name Butanoic acid, 4-(4-chloro-2-nitrophenylamino)-4-oxo-, allyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClN2O5
InChI InChI=1S/C13H13ClN2O5/c1-2-7-21-13(18)6-5-12(17)15-10-4-3-9(14)8-11(10)16(19)20/h2-4,8H,1,5-7H2,(H,15,17)
InChIKey ZZHLFFFRJPVIFX-UHFFFAOYSA-N
Molecular Weight 312.709 g/mol
SMILES N(c1c(N(=O)=O)cc(cc1)Cl)C(=O)CCC(=O)OCC=C
SPLASH splash10-0006-9700000000-d4777d5300b32ee2971f
Source of Spectrum AD-0-2532-0
Synonyms 4-(4-Chloro-2-nitro-anilino)-4-keto-butyric acid allyl ester 4-(4-Chloro-2-nitroanilino)-4-oxobutanoic acid prop-2-enyl ester Allyl 4-(4-chloro-2-nitro-anilino)-4-oxo-butanoate Prop-2-enyl 4-(4-chloro-2-nitroanilino)-4-oxobutanoate Prop-2-enyl 4-[(4-chloranyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate
Wiley ID 1428051