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6-[(Z)-1-chloro-3-keto-prop-1-enyl]cyclohepta-1,3,5-triene-1-carboxylic acid ethyl ester
SpectraBase Compound ID EI1eaWgoj26
InChI InChI=1S/C13H13ClO3/c1-2-17-13(16)11-6-4-3-5-10(9-11)12(14)7-8-15/h3-8H,2,9H2,1H3/b12-7-
InChIKey HOKIDWNCOZOQOP-GHXNOFRVSA-N
Mol Weight 252.7 g/mol
Molecular Formula C13H13ClO3
Exact Mass 252.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExDbiowbecM
Name 6-[(Z)-1-chloro-3-keto-prop-1-enyl]cyclohepta-1,3,5-triene-1-carboxylic acid ethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C13H13ClO3
InChI InChI=1S/C13H13ClO3/c1-2-17-13(16)11-6-4-3-5-10(9-11)12(14)7-8-15/h3-8H,2,9H2,1H3/b12-7-
InChIKey HOKIDWNCOZOQOP-GHXNOFRVSA-N
Molecular Weight 252.697 g/mol
SMILES C=1(C(=O)OCC)CC(\C(=C\C=O)Cl)=CC=CC1
SPLASH splash10-014i-0900000000-931b6908b7f00935be4a
Source of Spectrum AJ-68-3530-25
Synonyms 6-[(Z)-1-chloro-3-oxoprop-1-enyl]-1-cyclohepta-1,3,5-trienecarboxylic acid ethyl ester ethyl 6-[(Z)-1-chloranyl-3-oxidanylidene-prop-1-enyl]cyclohepta-1,3,5-triene-1-carboxylate ethyl 6-[(Z)-1-chloro-3-oxo-prop-1-enyl]cyclohepta-1,3,5-triene-1-carboxylate
Wiley ID 773516