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2-(3-Chloro-2,4,6-cycloheptatrienyl)-tropone
SpectraBase Compound ID IFjJJnlkSZN
InChI InChI=1S/C14H11ClO/c15-12-7-5-4-6-11(10-12)13-8-2-1-3-9-14(13)16/h1-11H
InChIKey YPMIIALWNFQBFW-UHFFFAOYSA-N
Mol Weight 230.69 g/mol
Molecular Formula C14H11ClO
Exact Mass 230.049843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnbGjJmjbPu
Name 2,4,6-Cycloheptatrien-1-one, 2-(3-chloro-2,4,6-cycloheptatrien-1-yl)-
CAS Registry Number 128456-79-1
Comments Less than 3 mono-isotopic peaks
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Formula C14H11ClO
InChI InChI=1S/C14H11ClO/c15-12-7-5-4-6-11(10-12)13-8-2-1-3-9-14(13)16/h1-11H
InChIKey YPMIIALWNFQBFW-UHFFFAOYSA-N
Molecular Weight 230.694 g/mol
SMILES C=1(C2C=C(C=CC=C2)Cl)C(C=CC=CC1)=O
SPLASH splash10-014i-0930000000-24e80da83fcef398aade
Source of Spectrum KC-1990-844-13
Synonyms 2-(3-Chloro-2,4,6-cycloheptatrienyl)tropone 2-(3-chlorocyclohepta-2,4,6-trien-1-yl)cyclohepta-2,4,6-trien-1-one
Wiley ID 1231919