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5-(1-Chloro-cyclohepta-1,3,5-trien-7-ylidene)-5H-dibenzo-[A,D]-cyclohept-10-ene
SpectraBase Compound ID At7kg2moEwR
InChI InChI=1S/C22H15Cl/c23-21-13-3-1-2-12-20(21)22-18-10-6-4-8-16(18)14-15-17-9-5-7-11-19(17)22/h1-15H
InChIKey ZLIMRIPTAUNEPW-UHFFFAOYSA-N
Mol Weight 314.82 g/mol
Molecular Formula C22H15Cl
Exact Mass 314.086228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JlFaNwIdH8s
Name 5H-Dibenzo[a,d]cycloheptene, 5-(2-chloro-2,4,6-cycloheptatrien-1-ylidene)-
Alternate Name(s) 5-(1-Chlorocyclohepta-1,3,5-trien-7-ylidene)-5H-dibenzo[a,d]cyclohept-10-ene 5-(2-chloro-2,4,6-cycloheptatrien-1-ylidene)-5H-dibenzo[a,d]cycloheptene
CAS Registry Number 114377-47-8
Comments Less than 3 mono-isotopic peaks
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Formula C22H15Cl
InChI InChI=1S/C22H15Cl/c23-21-13-3-1-2-12-20(21)22-18-10-6-4-8-16(18)14-15-17-9-5-7-11-19(17)22/h1-15H
InChIKey ZLIMRIPTAUNEPW-UHFFFAOYSA-N
Molecular Weight 314.815 g/mol
SMILES C1(=C2C(=CC=CC=C2)Cl)c2c(C=Cc3c1cccc3)cccc2
SPLASH splash10-004i-0092000000-2e0745d30e30ad311f65
Source of Spectrum J-53-2422-21
Wiley ID 1315634