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4-Cyano-5-hydroxy-3-tert-butyl-1-phenylpyrazole
SpectraBase Compound ID BE6rb2EIxUm
InChI InChI=1S/C14H15N3O/c1-14(2,3)12-11(9-15)13(18)17(16-12)10-7-5-4-6-8-10/h4-8,18H,1-3H3
InChIKey QLGNYTJTTWMVOX-UHFFFAOYSA-N
Mol Weight 241.29 g/mol
Molecular Formula C14H15N3O
Exact Mass 241.121512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2g2Z2BwUCJr
Name 4-Cyano-5-hydroxy-3-tert-butyl-1-phenylpyrazole
Alternate Name(s) 3-tert-Butyl-5-hydroxy-1-phenyl-1H-pyrazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15N3O
InChI InChI=1S/C14H15N3O/c1-14(2,3)12-11(9-15)13(18)17(16-12)10-7-5-4-6-8-10/h4-8,18H,1-3H3
InChIKey QLGNYTJTTWMVOX-UHFFFAOYSA-N
Molecular Weight 241.294 g/mol
SMILES Oc1[n](-c2ccccc2)nc(c1C#N)C(C)(C)C
SPLASH splash10-0006-0090000000-9eb203148342be6cb792
Source of Spectrum J-57-2132-7
Wiley ID 1244149