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2-(4-Chloro-benzyl)-tropone
SpectraBase Compound ID 6NAhYvhDOHG
InChI InChI=1S/C14H11ClO/c15-13-8-6-11(7-9-13)10-12-4-2-1-3-5-14(12)16/h1-9H,10H2
InChIKey OTPWZXJJNBQRPU-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 2G7k0naOtml
Name 2,4,6-Cycloheptatrien-1-one, 2-[(4-chlorophenyl)methyl]-
Alternate Name(s) 2-(4-Chloro-benzyl)tropone 2-(4-chlorobenzyl)-2,4,6-cycloheptatrien-1-one
CAS Registry Number 128456-89-3
Comments Less than 3 mono-isotopic peaks
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Formula C14H11ClO
InChI InChI=1S/C14H11ClO/c15-13-8-6-11(7-9-13)10-12-4-2-1-3-5-14(12)16/h1-9H,10H2
InChIKey OTPWZXJJNBQRPU-UHFFFAOYSA-N
Molecular Weight 230.694 g/mol
SMILES C=1(C(C=CC=CC1)=O)Cc1ccc(cc1)Cl
SPLASH splash10-001i-0090000000-3414441d7312945594af
Source of Spectrum KC-1990-1004-10
Wiley ID 1231921