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Doxylamine-M (nor-HO-) 2AC
SpectraBase Compound ID 9rsTgSGhhFQ
InChI InChI=1S/C20H24N2O4/c1-15(23)22(4)13-14-25-20(3,19-7-5-6-12-21-19)17-8-10-18(11-9-17)26-16(2)24/h5-12H,13-14H2,1-4H3
InChIKey LZSOKYOVNYRBMM-UHFFFAOYSA-N
Mol Weight 356.42 g/mol
Molecular Formula C20H24N2O4
Exact Mass 356.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JwM08Ibjbz6
Name Doxylamine-M (nor-HO-) 2AC
Classification Antihistamine
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 356.173607257 u
Formula C20H24N2O4
InChI InChI=1S/C20H24N2O4/c1-15(23)22(4)13-14-25-20(3,19-7-5-6-12-21-19)17-8-10-18(11-9-17)26-16(2)24/h5-12H,13-14H2,1-4H3
InChIKey LZSOKYOVNYRBMM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 356.422 g/mol
SMILES c1(ccc(C(C)(OCCN(C(C)=O)C)c2ncccc2)cc1)OC(C)=O
SPLASH splash10-0zfv-3920000000-770554e741bfb7df99cf
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: UHYAC
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_2697