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Pyrazolidinium, 4-hydroxy-1,1-dimethyl-3-oxo-5-phenyl-, hydroxide, inner salt, trans-
SpectraBase Compound ID 3ysh8qbVXQK
InChI InChI=1S/C11H14N2O2/c1-13(2)9(10(14)11(15)12-13)8-6-4-3-5-7-8/h3-7,9-10H,1-2H3,(H,12,15)/t9-,10-/m1/s1
InChIKey IVZPVQKGOLFQKR-NXEZZACHSA-N
Mol Weight 206.24 g/mol
Molecular Formula C11H14N2O2
Exact Mass 206.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGf4LUV5yJa
Name Pyrazolidinium, 4-hydroxy-1,1-dimethyl-3-oxo-5-phenyl-, hydroxide, inner salt, trans-
CAS Registry Number 66190-42-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14N2O2
InChI InChI=1S/C11H14N2O2/c1-13(2)9(10(14)11(15)12-13)8-6-4-3-5-7-8/h3-7,9-10H,1-2H3,(H,12,15)/t9-,10-/m1/s1
InChIKey IVZPVQKGOLFQKR-NXEZZACHSA-N
Molecular Weight 206.245 g/mol
SMILES N1[N+]([C@@]([C@](C1=O)([O-])[H])(c1ccccc1)[H])(C)C
SPLASH splash10-006x-9700000000-8153112b4df12ee23c00
Source of Spectrum K-111-794-0
Synonyms (4R,5R)-1,1-dimethyl-3-oxo-5-phenylpyrazolidin-1-ium-4-olate trans-(4-hydroxy-1,1-dimethyl-5-phenyl-4,5-dihydropyrazol-3-ylio)oxide
Wiley ID 1204223