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1-Phenyl-3-hydroxymethyl-4-(prop-2-yl)-4,5-dihydropyrazole-5-one
SpectraBase Compound ID KFWTMpuSS3q
InChI InChI=1S/C13H16N2O2/c1-9(2)12-11(8-16)14-15(13(12)17)10-6-4-3-5-7-10/h3-7,9,12,16H,8H2,1-2H3
InChIKey JRLOTTCICYDGHA-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C13H16N2O2
Exact Mass 232.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3wha4VS3Bw
Name 1-Phenyl-3-hydroxymethyl-4-(prop-2-yl)-4,5-dihydropyrazole-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O2
InChI InChI=1S/C13H16N2O2/c1-9(2)12-11(8-16)14-15(13(12)17)10-6-4-3-5-7-10/h3-7,9,12,16H,8H2,1-2H3
InChIKey JRLOTTCICYDGHA-UHFFFAOYSA-N
Molecular Weight 232.283 g/mol
SMILES OCC1=NN(C(C1C(C)C)=O)c1ccccc1
SPLASH splash10-00nf-9520000000-ea48ad5e76691d31b88e
Source of Spectrum CJ-1992-0-0
Synonyms 5-(hydroxymethyl)-4-isopropyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Wiley ID 1233802