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(E)-4-CHLORO-4-OXO-2-BUTENOIC-ACID-1-METHYLETHYLESTER
SpectraBase Compound ID 8TsiF83Gew7
InChI InChI=1S/C7H9ClO3/c1-5(2)11-7(10)4-3-6(8)9/h3-5H,1-2H3/b4-3+
InChIKey OOLGYGCHYSUIIS-ONEGZZNKSA-N
Mol Weight 176.6 g/mol
Molecular Formula C7H9ClO3
Exact Mass 176.024022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36BG1cQOUkG
Name (E)-4-chloro-4-keto-but-2-enoic acid isopropyl ester
Alternate Name(s) (E)-4-chloro-4-oxo-2-butenoic acid propan-2-yl ester isopropyl (E)-4-chloro-4-oxo-but-2-enoate Propan-2-yl (E)-4-chloranyl-4-oxidanylidene-but-2-enoate Propan-2-yl (E)-4-chloro-4-oxobut-2-enoate
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Formula C7H9ClO3
InChI InChI=1S/C7H9ClO3/c1-5(2)11-7(10)4-3-6(8)9/h3-5H,1-2H3/b4-3+
InChIKey OOLGYGCHYSUIIS-ONEGZZNKSA-N
Molecular Weight 176.599 g/mol
SMILES C(\C=C\C(=O)Cl)(=O)OC(C)C
SPLASH splash10-0006-9200000000-84bc64f2be60a56006a8
Source of Spectrum C-118-8274-43
Wiley ID 759841