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Benzo[a]cyclopropa[cd]pentalene, 1,2,2a,2b,6b,6c-octahydro-6c-methyl-
SpectraBase Compound ID 3yhvK7q36Af
InChI InChI=1S/C13H14/c1-13-10-6-7-11(13)12(13)9-5-3-2-4-8(9)10/h2-5,10-12H,6-7H2,1H3/t10?,11-,12+,13?/m1/s1
InChIKey QWDFYPYWTHTSNW-QBHFIFKDSA-N
Mol Weight 170.25 g/mol
Molecular Formula C13H14
Exact Mass 170.10955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I101JDyI9zU
Name Benzo[a]cyclopropa[cd]pentalene, 1,2,2a,2b,6b,6c-octahydro-6c-methyl-
CAS Registry Number 117461-24-2
Comments Less than 3 mono-isotopic peaks
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Formula C13H14
InChI InChI=1S/C13H14/c1-13-10-6-7-11(13)12(13)9-5-3-2-4-8(9)10/h2-5,10-12H,6-7H2,1H3/t10?,11-,12+,13?/m1/s1
InChIKey QWDFYPYWTHTSNW-QBHFIFKDSA-N
Molecular Weight 170.255 g/mol
SMILES C12([C@]3(c4ccccc4C2CC[C@@]13[H])[H])C
SPLASH splash10-0006-0900000000-ad7b25fee61f502ed65c
Source of Spectrum F-44-78-6
Synonyms 1-Methyl-3,4-benzotricyclo[3.3.0.0(2,8)]octene 2-Methyl-3,4-benzotricyclo[3.3.0.0(2,8)]octene 6c-methyl-1,2,2a,2b,6b,6c-hexahydrobenzo[a]cyclopropa[cd]pentalene
Wiley ID 1167668