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1-Acetyl-4,5-dihydro-5-hydroxy-5-(methoxyphenyl)-3-methylpyrazole
SpectraBase Compound ID KDaI39N2bSV
InChI InChI=1S/C13H16N2O3/c1-9-8-13(17,15(14-9)10(2)16)11-4-6-12(18-3)7-5-11/h4-7,17H,8H2,1-3H3
InChIKey ZJBQIJOCVYYMHL-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C13H16N2O3
Exact Mass 248.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ihoaaDokLj
Name 1-Acetyl-4,5-dihydro-5-hydroxy-5-(methoxyphenyl)-3-methylpyrazole
Alternate Name(s) 1-Acetyl-4,5-dihydro-5-hydroxy-5-(4-methoxyphenyl)-3-methylpyrazole 1-acetyl-5-(2-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O3
InChI InChI=1S/C13H16N2O3/c1-9-8-13(17,15(14-9)10(2)16)11-4-6-12(18-3)7-5-11/h4-7,17H,8H2,1-3H3
InChIKey ZJBQIJOCVYYMHL-UHFFFAOYSA-N
Molecular Weight 248.282 g/mol
SMILES OC1(N(N=C(C)C1)C(=O)C)c1ccc(cc1)OC
SPLASH splash10-0002-0900000000-be9ce8cdf390dbfc711e
Source of Spectrum H1-51-2682-11
Wiley ID 817504