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3-phenyl-cis-3,3a,4,5,6,6a-hexahydro-4,5,6-methenocyclopentapyrazole
SpectraBase Compound ID FUzTfiTzf9v
InChI InChI=1S/C13H12N2/c1-2-4-6(5-3-1)12-11-9-7-8(9)10(7)13(11)15-14-12/h1-5,7-13H/t7-,8+,9?,10?,11?,12?,13?
InChIKey HDIPRACLECBUJX-ZHMQHJAWSA-N
Mol Weight 196.25 g/mol
Molecular Formula C13H12N2
Exact Mass 196.100048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L02ybRVhgND
Name 3-phenyl-cis-3,3a,4,5,6,6a-hexahydro-4,5,6-methenocyclopentapyrazole
CAS Registry Number 77481-21-1
Comments Less than 3 mono-isotopic peaks
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Formula C13H12N2
InChI InChI=1S/C13H12N2/c1-2-4-6(5-3-1)12-11-9-7-8(9)10(7)13(11)15-14-12/h1-5,7-13H/t7-,8+,9?,10?,11?,12?,13?
InChIKey HDIPRACLECBUJX-ZHMQHJAWSA-N
Molecular Weight 196.253 g/mol
SMILES [C@@]12([C@@]3([H])C2C2N=NC(C2C13)c1ccccc1)[H]
SPLASH splash10-014i-0900000000-8b87bafa24a9ef91a85a
Source of Spectrum F-45-2912-2
Synonyms (3R,4S)-9-phenyl-7,8-diazatetracyclo[4.3.0.0(2,4).0(3,5)]non-7-ene
Wiley ID 1193857