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1H-Pyrazole-5-methanol, 1-methyl-.alpha.-(4-methylphenyl)-.alpha.-(1-methyl-1H-pyrazol-5-yl)-
SpectraBase Compound ID Bky9NH2rNhr
InChI InChI=1S/C16H18N4O/c1-12-4-6-13(7-5-12)16(21,14-8-10-17-19(14)2)15-9-11-18-20(15)3/h4-11,21H,1-3H3
InChIKey XZPYYJUYSWSWQE-UHFFFAOYSA-N
Mol Weight 282.35 g/mol
Molecular Formula C16H18N4O
Exact Mass 282.148061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1jdnC4jvMlp
Name 1H-Pyrazole-5-methanol, 1-methyl-.alpha.-(4-methylphenyl)-.alpha.-(1-methyl-1H-pyrazol-5-yl)-
Alternate Name(s) (4-methylphenyl)[bis(1-methyl-1H-pyrazol-5-yl)]methanol (p-methylphenyl)-bis(1-methylpyrazol-5'-yl)carbinol
CAS Registry Number 87581-71-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N4O
InChI InChI=1S/C16H18N4O/c1-12-4-6-13(7-5-12)16(21,14-8-10-17-19(14)2)15-9-11-18-20(15)3/h4-11,21H,1-3H3
InChIKey XZPYYJUYSWSWQE-UHFFFAOYSA-N
Molecular Weight 282.347 g/mol
SMILES OC(c1[n](ncc1)C)(c1[n](ncc1)C)c1ccc(cc1)C
SPLASH splash10-0a4i-0910000000-2704c845e563c6bafd4f
Source of Spectrum F-39-2029-0
Wiley ID 1285934