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Roxatidine HYAC
SpectraBase Compound ID 10vDGeBExCe
InChI InChI=1S/C17H26N2O2/c1-15(20)18-9-6-12-21-17-8-5-7-16(13-17)14-19-10-3-2-4-11-19/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H,18,20)
InChIKey FAXLXLJWHQJMPK-UHFFFAOYSA-N
Mol Weight 290.41 g/mol
Molecular Formula C17H26N2O2
Exact Mass 290.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ch7EsTnmFGJ
Name Roxatidine HYAC
Classification H2-Blocker
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Exact Mass 290.199428083 u
Formula C17H26N2O2
InChI InChI=1S/C17H26N2O2/c1-15(20)18-9-6-12-21-17-8-5-7-16(13-17)14-19-10-3-2-4-11-19/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H,18,20)
InChIKey FAXLXLJWHQJMPK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 290.407 g/mol
SMILES C1CCN(Cc2cc(OCCCNC(=O)C)ccc2)CC1
SPLASH splash10-0f89-9510000000-ce11feaeba8ee62b8853
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
Technique GC/MS
Wiley ID MMPW6e_4198