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(Z)-3-Chloro-3-(6-ethynylcyclohepta-1,3,5-trienyl)propenal
SpectraBase Compound ID DPbBOcDWBTT
InChI InChI=1S/C12H9ClO/c1-2-10-5-3-4-6-11(9-10)12(13)7-8-14/h1,3-8H,9H2/b12-7-
InChIKey CHYLZNJEGZZXSO-GHXNOFRVSA-N
Mol Weight 204.66 g/mol
Molecular Formula C12H9ClO
Exact Mass 204.034193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FNeODlezUCG
Name (Z)-3-Chloro-3-(6-ethynylcyclohepta-1,3,5-trienyl)propenal
Comments Less than 3 mono-isotopic peaks
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Formula C12H9ClO
InChI InChI=1S/C12H9ClO/c1-2-10-5-3-4-6-11(9-10)12(13)7-8-14/h1,3-8H,9H2/b12-7-
InChIKey CHYLZNJEGZZXSO-GHXNOFRVSA-N
Molecular Weight 204.656 g/mol
SMILES C=1(\C(=C\C=O)Cl)CC(C#C)=CC=CC1
SPLASH splash10-000i-0910000000-c813cfc0e873784b2a55
Source of Spectrum KC-0-2801-26
Synonyms (2Z)-3-chloro-3-(6-ethynyl-1,3,5-cycloheptatrien-1-yl)-2-propenal (Z)-3-chloro-3-(6-ethynyl-1-cyclohepta-1,3,5-trienyl)-2-propenal (Z)-3-chloro-3-(6-ethynylcyclohepta-1,3,5-trien-1-yl)prop-2-enal (Z)-3-chloranyl-3-(6-ethynylcyclohepta-1,3,5-trien-1-yl)prop-2-enal
Wiley ID 784562