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Bencyclane-M (oxo-) isomer-1
SpectraBase Compound ID Esp0CVCN5D1
InChI InChI=1S/C19H29NO2/c1-20(2)13-8-14-22-19-17(11-6-7-12-18(19)21)15-16-9-4-3-5-10-16/h3-5,9-10,17,19H,6-8,11-15H2,1-2H3
InChIKey NOPCIBQFHQSEQL-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 4DrU8Ja4wVO
Name Bencyclane-M (oxo-) isomer-1
Classification Vasodilator
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Exact Mass 303.219829176 u
Formula C19H29NO2
InChI InChI=1S/C19H29NO2/c1-20(2)13-8-14-22-19-17(11-6-7-12-18(19)21)15-16-9-4-3-5-10-16/h3-5,9-10,17,19H,6-8,11-15H2,1-2H3
InChIKey NOPCIBQFHQSEQL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 303.446 g/mol
SMILES C1(Cc2ccccc2)CCCCC(=O)C1OCCCN(C)C
SPLASH splash10-0a4i-9200000000-8e5f3dbd76101ff08dad
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
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_2298