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3-(2-Hydroxy-2-methyl-1-propyl)-5-methyl-4-phenyl-1,2,4-triazole
SpectraBase Compound ID 4XPKcbGr9Um
InChI InChI=1S/C13H17N3O/c1-10-14-15-12(9-13(2,3)17)16(10)11-7-5-4-6-8-11/h4-8,17H,9H2,1-3H3
InChIKey PAJNDGMTRQLFOJ-UHFFFAOYSA-N
Mol Weight 231.3 g/mol
Molecular Formula C13H17N3O
Exact Mass 231.137162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dULDlvzwu
Name 3-(2-Hydroxy-2-methyl-1-propyl)-5-methyl-4-phenyl-1,2,4-triazole
Alternate Name(s) 2-Methyl-1-(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)-2-propanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3O
InChI InChI=1S/C13H17N3O/c1-10-14-15-12(9-13(2,3)17)16(10)11-7-5-4-6-8-11/h4-8,17H,9H2,1-3H3
InChIKey PAJNDGMTRQLFOJ-UHFFFAOYSA-N
Molecular Weight 231.299 g/mol
SMILES OC(Cc1[n](c(C)nn1)-c1ccccc1)(C)C
SPLASH splash10-00di-2900000000-b2d7675d075f79315f59
Source of Spectrum H1-34-777-0
Wiley ID 754649