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Bencyclane-M (HO-) isomer-1
SpectraBase Compound ID 1ljqBYvfwwT
InChI InChI=1S/C19H31NO2/c1-20(2)13-8-14-22-19-17(11-6-7-12-18(19)21)15-16-9-4-3-5-10-16/h3-5,9-10,17-19,21H,6-8,11-15H2,1-2H3
InChIKey CJVVOBFRMSXLMM-UHFFFAOYSA-N
Mol Weight 305.46 g/mol
Molecular Formula C19H31NO2
Exact Mass 305.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ou6wdvGWO
Name Bencyclane-M (HO-) isomer-2
Classification Vasodilator
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 305.235479240 u
Formula C19H31NO2
InChI InChI=1S/C19H31NO2/c1-20(2)13-8-14-22-19-17(11-6-7-12-18(19)21)15-16-9-4-3-5-10-16/h3-5,9-10,17-19,21H,6-8,11-15H2,1-2H3
InChIKey CJVVOBFRMSXLMM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 305.462 g/mol
SMILES c1(ccccc1)CC1C(C(CCCC1)O)OCCCN(C)C
SPLASH splash10-0pb9-9300000000-1b81368e4b74ea54b7d4
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: P 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_80