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1-[exo-3-(Bicyclo[2.2.1]heptan-2-yl)phenyl]-3,5-dimethyl-1H-pyrazole
SpectraBase Compound ID BEyRwG8t8aG
InChI InChI=1S/C18H22N2/c1-12-8-13(2)20(19-12)17-5-3-4-15(11-17)18-10-14-6-7-16(18)9-14/h3-5,8,11,14,16,18H,6-7,9-10H2,1-2H3/t14-,16+,18-/m0/s1
InChIKey LMAWYCHOYHTBKU-UHFFFAOYSA-N
Mol Weight 266.39 g/mol
Molecular Formula C18H22N2
Exact Mass 266.178299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HyAhxfocKMS
Name 1-[exo-3-(Bicyclo[2.2.1]heptan-2-yl)phenyl]-3,5-dimethyl-1H-pyrazole
Appearance Colorless oil
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Formula C18H22N2
InChI InChI=1S/C18H22N2/c1-12-8-13(2)20(19-12)17-5-3-4-15(11-17)18-10-14-6-7-16(18)9-14/h3-5,8,11,14,16,18H,6-7,9-10H2,1-2H3/t14-,16+,18-/m0/s1
InChIKey LMAWYCHOYHTBKU-UHFFFAOYSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.202007144
Molecular Weight 266.388 g/mol
Reported Formula C18H22N2
SMILES c1c(cc(cc1)[C@]1([C@]2(C[C@@](C1)(CC2)[H])[H])[H])-[n]1c(cc(n1)C)C
SPLASH splash10-014j-3890000000-b5ece5d01c1289c18b86
Source of Spectrum ACI-59-SM24-7gf
Wiley ID 1858338