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Phenopyrazone 2AC
SpectraBase Compound ID 3sEzDBTeae9
InChI InChI=1S/C19H16N2O4/c1-13(22)24-18-17(15-9-5-3-6-10-15)19(25-14(2)23)21(20-18)16-11-7-4-8-12-16/h3-12H,1-2H3
InChIKey DMHFFMDGDQQEJZ-UHFFFAOYSA-N
Mol Weight 336.35 g/mol
Molecular Formula C19H16N2O4
Exact Mass 336.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fj1tTw47pQr
Name Phenopyrazone 2AC
Classification Analgesic
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Exact Mass 336.111006999 u
Formula C19H16N2O4
InChI InChI=1S/C19H16N2O4/c1-13(22)24-18-17(15-9-5-3-6-10-15)19(25-14(2)23)21(20-18)16-11-7-4-8-12-16/h3-12H,1-2H3
InChIKey DMHFFMDGDQQEJZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 336.347 g/mol
Related CAS Registry Number(s) 3426-01-5
SMILES c1([n](nc(c1-c1ccccc1)OC(=O)C)-c1ccccc1)OC(=O)C
SPLASH splash10-0udi-9660000000-d8cea73cd1229c94c44c
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_5130