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Phenytoin 2ME (2,3)
SpectraBase Compound ID GWInopDkILf
InChI InChI=1S/C17H16N2O2/c1-19-16(21-2)18-15(20)17(19,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKey BOJXKUOKYGUMCG-UHFFFAOYSA-N
Mol Weight 280.33 g/mol
Molecular Formula C17H16N2O2
Exact Mass 280.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJx0Kj4s2Bm
Name Phenytoin 2ME (2,3)
CAS Registry Number 6456-01-5
Classification Anticonvulsant
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Exact Mass 280.121177761 u
Formula C17H16N2O2
InChI InChI=1S/C17H16N2O2/c1-19-16(21-2)18-15(20)17(19,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKey BOJXKUOKYGUMCG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 280.327 g/mol
SMILES c1ccc(C2(C(N=C(N2C)OC)=O)c2ccccc2)cc1
SPLASH splash10-0fir-9870000000-2b80b5cce338c86b714e
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_4512