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7-(7H-Bicyclo-[4.1.0]-hepta-1,3,5-trien-7-ylidene)-7H-benzocyclo-hepta-5,8-diene
SpectraBase Compound ID D0AkuUizJxn
InChI InChI=1S/C18H12/c1-2-6-14-10-12-15(11-9-13(14)5-1)18-16-7-3-4-8-17(16)18/h1-12H
InChIKey GGIXYYKHAZHUCP-UHFFFAOYSA-N
Mol Weight 228.29 g/mol
Molecular Formula C18H12
Exact Mass 228.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5tiKXqkABgW
Name Bicyclo[4.1.0]hepta-1,3,5-triene, 7-(7H-benzocyclohepten-7-ylidene)-
Alternate Name(s) 7-(7H-bicyclo[4.1.0]hepta-1,3,5-trien-7-ylidene)-7H-benzocyclohepta-5,8-diene 7-bicyclo[4.1.0]hepta-1,3,5-trien-7-ylidene-7H-benzo[a]cycloheptene
CAS Registry Number 109685-02-1
Comments Less than 3 mono-isotopic peaks
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Formula C18H12
InChI InChI=1S/C18H12/c1-2-6-14-10-12-15(11-9-13(14)5-1)18-16-7-3-4-8-17(16)18/h1-12H
InChIKey GGIXYYKHAZHUCP-UHFFFAOYSA-N
Molecular Weight 228.294 g/mol
SMILES C1(c2ccccc12)=C1C=Cc2ccccc2C=C1
SPLASH splash10-004i-0090000000-7a3b9035f843f4c90e76
Source of Spectrum J-53-2421-12
Wiley ID 1230405