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1-[exo-2-(Bicyclo[2.2.1]heptan-2-yl)-4-methoxyphenyl]-5-methyl-1H-pyrazole
SpectraBase Compound ID FIZ1Kaeg4MA
InChI InChI=1S/C18H22N2O/c1-12-7-8-19-20(12)18-6-5-15(21-2)11-17(18)16-10-13-3-4-14(16)9-13/h5-8,11,13-14,16H,3-4,9-10H2,1-2H3/t13-,14+,16?/m0/s1
InChIKey JJJODROENUBUFD-NNKZFNQJSA-N
Mol Weight 282.39 g/mol
Molecular Formula C18H22N2O
Exact Mass 282.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1YwyYPELmi
Name 1-[exo-2-(Bicyclo[2.2.1]heptan-2-yl)-4-methoxyphenyl]-5-methyl-1H-pyrazole
Appearance Colorless oil
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Formula C18H22N2O
InChI InChI=1S/C18H22N2O/c1-12-7-8-19-20(12)18-6-5-15(21-2)11-17(18)16-10-13-3-4-14(16)9-13/h5-8,11,13-14,16H,3-4,9-10H2,1-2H3/t13-,14+,16?/m0/s1
InChIKey JJJODROENUBUFD-NNKZFNQJSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.202007144
Molecular Weight 282.387 g/mol
Reported Formula C18H22N2O
SMILES c1(c(ccc(c1)OC)-[n]1c(ccn1)C)C1[C@]2(C[C@@](C1)(CC2)[H])[H]
SPLASH splash10-0v0r-1090000000-39aadd1ad672808ff9bc
Source of Spectrum ACI-59-SM31-6if
Wiley ID 1858319