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Doxylamine-M (deamino-HO-) AC
SpectraBase Compound ID InArAjJ96rf
InChI InChI=1S/C17H19NO3/c1-14(19)20-12-13-21-17(2,15-8-4-3-5-9-15)16-10-6-7-11-18-16/h3-11H,12-13H2,1-2H3
InChIKey JVOSDXQFLMIIKA-UHFFFAOYSA-N
Mol Weight 285.34 g/mol
Molecular Formula C17H19NO3
Exact Mass 285.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9betnZWj8ch
Name Doxylamine-M (deamino-HO-) AC
Classification Antihistamine
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Exact Mass 285.136493473 u
Formula C17H19NO3
InChI InChI=1S/C17H19NO3/c1-14(19)20-12-13-21-17(2,15-8-4-3-5-9-15)16-10-6-7-11-18-16/h3-11H,12-13H2,1-2H3
InChIKey JVOSDXQFLMIIKA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 285.343 g/mol
SMILES c1ccnc(c1)C(OCCOC(C)=O)(C)c1ccccc1
SPLASH splash10-001s-2900000000-3160101ec7a2a9b89d74
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_2692