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Bencyclane-M (bis-nor-) AC

View entire compound with spectra: 1 MS (GC)

Bencyclane-M (bis-nor-) AC
SpectraBase Compound ID KcdRC4GhVkW
InChI InChI=1S/C19H29NO2/c1-16(21)20-13-8-14-22-19-12-7-3-6-11-18(19)15-17-9-4-2-5-10-17/h2,4-5,9-10,18-19H,3,6-8,11-15H2,1H3,(H,20,21)
InChIKey KNNDPAQUTDZJFY-UHFFFAOYSA-N
Mol Weight 303.45 g/mol
Molecular Formula C19H29NO2
Exact Mass 303.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUtMInFxz9c
Name Bencyclane-M (bis-nor-) AC
Classification Vasodilator
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Exact Mass 303.219829176 u
Formula C19H29NO2
InChI InChI=1S/C19H29NO2/c1-16(21)20-13-8-14-22-19-12-7-3-6-11-18(19)15-17-9-4-2-5-10-17/h2,4-5,9-10,18-19H,3,6-8,11-15H2,1H3,(H,20,21)
InChIKey KNNDPAQUTDZJFY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 303.446 g/mol
SMILES C1(CCCCCC1OCCCNC(C)=O)Cc1ccccc1
SPLASH splash10-0udi-3900000000-ca2de27b60a8574a08c9
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_2306