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4,4-Bis(hydroxymethyl)-1-phenylpyrazolidin-3-one

View entire compound with spectra: 2 MS (GC)

4,4-Bis(hydroxymethyl)-1-phenylpyrazolidin-3-one
SpectraBase Compound ID AbDktmUYhV1
InChI InChI=1S/C11H14N2O3/c14-7-11(8-15)6-13(12-10(11)16)9-4-2-1-3-5-9/h1-5,14-15H,6-8H2,(H,12,16)
InChIKey AJKLCDRWGVLVSH-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C11H14N2O3
Exact Mass 222.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LOSPITJXrmT
Name 4,4-Bis(hydroxymethyl)-1-phenylpyrazolidin-3-one
Alternate Name(s) 4,4-Bis(hydroxymethyl)-1-phenyl-3-pyrazolidinone 4,4-Bis(hydroxymethyl)-1-phenyl-pyrazolidin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14N2O3
InChI InChI=1S/C11H14N2O3/c14-7-11(8-15)6-13(12-10(11)16)9-4-2-1-3-5-9/h1-5,14-15H,6-8H2,(H,12,16)
InChIKey AJKLCDRWGVLVSH-UHFFFAOYSA-N
Molecular Weight 222.244 g/mol
SMILES OCC1(CO)CN(NC1=O)c1ccccc1
SPLASH splash10-00fr-9630000000-78b2b30f09d6c3fb446b
Source of Spectrum JX-2015-0-506
Wiley ID 1720437