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Roxatidine HY formyl artifact
SpectraBase Compound ID 3RBfCoz6dLq
InChI InChI=1S/C16H24N2O/c1-17-9-6-12-19-16-8-5-7-15(13-16)14-18-10-3-2-4-11-18/h5,7-8,13H,1-4,6,9-12,14H2
InChIKey JUKKLBBCCPETKJ-UHFFFAOYSA-N
Mol Weight 260.38 g/mol
Molecular Formula C16H24N2O
Exact Mass 260.188863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSmfIt3tm2A
Name Roxatidine HY formyl artifact
Classification H2-Blocker
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Exact Mass 260.188863400 u
Formula C16H24N2O
InChI InChI=1S/C16H24N2O/c1-17-9-6-12-19-16-8-5-7-15(13-16)14-18-10-3-2-4-11-18/h5,7-8,13H,1-4,6,9-12,14H2
InChIKey JUKKLBBCCPETKJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 260.381 g/mol
SMILES C1CCN(Cc2cc(OCCCN=C)ccc2)CC1
SPLASH splash10-001i-9410000000-8ea96f2b1397feb5ddfb
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_4202