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3-Pyrazolidinol, 2-acetyl-5-methyl-1-phenyl-

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

3-Pyrazolidinol, 2-acetyl-5-methyl-1-phenyl-
SpectraBase Compound ID bltJ6GLVff
InChI InChI=1S/C12H16N2O2/c1-9-8-12(16)14(10(2)15)13(9)11-6-4-3-5-7-11/h3-7,9,12,16H,8H2,1-2H3
InChIKey FMWONULLLVRUJH-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C12H16N2O2
Exact Mass 220.121178 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GCbMmDALsAR
Name 3-Pyrazolidinol, 2-acetyl-5-methyl-1-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.121177761 u
Formula C12H16N2O2
InChI InChI=1S/C12H16N2O2/c1-9-8-12(16)14(10(2)15)13(9)11-6-4-3-5-7-11/h3-7,9,12,16H,8H2,1-2H3
InChIKey FMWONULLLVRUJH-UHFFFAOYSA-N
Molecular Weight 220.272 g/mol
SMILES CC1CC(N(N1C=1C=CC=CC1)C(=O)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.847495