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1-methyl[2.2]paracyclophan-1-en
SpectraBase Compound ID D2iRYPNC1ma
InChI InChI=1S/C17H16/c1-13-12-16-6-4-14(5-7-16)2-3-15-8-10-17(13)11-9-15/h4-12H,2-3H2,1H3/b13-12-
InChIKey PJMXNUXRUPAEEI-SEYXRHQNSA-N
Mol Weight 220.31 g/mol
Molecular Formula C17H16
Exact Mass 220.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABGcYdFeqaY
Name 1-methyl[2.2]paracyclophan-1-en
CAS Registry Number 100703-42-2
Comments Less than 3 mono-isotopic peaks
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Formula C17H16
InChI InChI=1S/C17H16/c1-13-12-16-6-4-14(5-7-16)2-3-15-8-10-17(13)11-9-15/h4-12H,2-3H2,1H3/b13-12-
InChIKey PJMXNUXRUPAEEI-SEYXRHQNSA-N
Molecular Weight 220.315 g/mol
SMILES c12\C=C/(c3ccc(CCc(cc2)cc1)cc3)C
SPLASH splash10-05fr-0090000000-51a065c51a6daeac5e58
Source of Spectrum K-119-1842-11
Synonyms 2-methyltricyclo[8.2.2.2(4,7)]hexadeca-1(12),2,4,6,10,13,15-heptaene
Wiley ID 1220965