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1-(2-Benzyl-5-hydroxy-pyrazolidin-1-yl)ethanone

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

1-(2-Benzyl-5-hydroxy-pyrazolidin-1-yl)ethanone
SpectraBase Compound ID F1i27LyUYdf
InChI InChI=1S/C12H16N2O2/c1-10(15)14-12(16)7-8-13(14)9-11-5-3-2-4-6-11/h2-6,12,16H,7-9H2,1H3
InChIKey ZSEIBWJUNJZVAZ-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 BNnysvFFzN2
Name 1-(2-Benzyl-5-hydroxy-pyrazolidin-1-yl)ethanone
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/c1-10(15)14-12(16)7-8-13(14)9-11-5-3-2-4-6-11/h2-6,12,16H,7-9H2,1H3
InChIKey ZSEIBWJUNJZVAZ-UHFFFAOYSA-N
Molecular Weight 220.272 g/mol
SMILES C1N(N(C(C1)O)C(=O)C)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929269