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Nefopam-M -H2O isomer-1 2AC
SpectraBase Compound ID FDGKSOxkh10
InChI InChI=1S/C20H19NO4/c1-14(22)21-12-17-10-6-7-11-18(17)20(16-8-4-3-5-9-16)25-19(13-21)24-15(2)23/h3-11,13,20H,12H2,1-2H3
InChIKey SBSSGJHQVHVWPC-UHFFFAOYSA-N
Mol Weight 337.38 g/mol
Molecular Formula C20H19NO4
Exact Mass 337.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4IJ1fJPmoS
Name Nefopam-M -H2O isomer-2 2AC
Classification Potent analgesic
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 337.131408092 u
Formula C20H19NO4
InChI InChI=1S/C20H19NO4/c1-14(22)21-12-17-10-6-7-11-18(17)20(16-8-4-3-5-9-16)25-19(13-21)24-15(2)23/h3-11,13,20H,12H2,1-2H3
InChIKey SBSSGJHQVHVWPC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 337.375 g/mol
SMILES C1c2c(cccc2)C(c2ccccc2)OC(=CN1C(C)=O)OC(C)=O
SPLASH splash10-000i-7952000000-5209f8ef7a1139a33b26
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.
Sample Preparation Procedure Detected: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Nefopam-M (nor-di-HO-) -H2O isomer-2 2AC
Technique GC/MS
Wiley ID MMPW6e_1167