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Phenytoin
SpectraBase Compound ID 6uDw7hGDAjf
InChI InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
InChIKey CXOFVDLJLONNDW-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C15H12N2O2
Exact Mass 252.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LozjO5z8a
Name Phenytoin
Appearance White powder
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.089877632 u
Formula C15H12N2O2
InChI InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
InChIKey CXOFVDLJLONNDW-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202104409
Quality 141
SMILES N1C(NC(C1(C1=CC=CC=C1)C1=CC=CC=C1)=O)=O
SPLASH splash10-0ue9-1790000000-2c3478d62b179bfd5017
Source of Spectrum QE-28-SM15-3 (DOI: 10.1002/chem.202104409)
Thin-Layer Chromatography 0.6 (n-pentane/AcOEt, 1.5:1)
Wiley ID 1898327