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4-Acetyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one monohydrate

View entire compound with spectra: 2 NMR, and 1 FTIR

4-Acetyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one monohydrate
SpectraBase Compound ID 7EGbW3DbocK
InChI InChI=1S/C12H12N2O2.H2O/c1-8-11(9(2)15)12(16)14(13-8)10-6-4-3-5-7-10;/h3-7,11H,1-2H3;1H2
InChIKey HLQVTAADBOJHLX-UHFFFAOYSA-N
Mol Weight 232.24 g/mol
Molecular Formula C12H12N2O3
Exact Mass 232.084792 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 275edi1UGoK
Name 4-Acetyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one monohydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 369217
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O3
InChI 1S/C12H12N2O2.H2O/c1-8-11(9(2)15)12(16)14(13-8)10-6-4-3-5-7-10;/h3-7,11H,1-2H3;1H2
InChIKey HLQVTAADBOJHLX-UHFFFAOYSA-N
Observed nucleus 1H
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_007813