SpectraBase Spectrum ID |
8IhDr6pOFUG |
Name |
Bencyclane |
CAS Registry Number |
2179-37-5 |
Classification |
Pharmaceutical drug, vasodilator |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
289.240564621 u |
Formula |
C19H31NO |
InChI |
InChI=1S/C19H31NO/c1-20(2)15-10-16-21-19(13-8-3-4-9-14-19)17-18-11-6-5-7-12-18/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3 |
InChIKey |
FYJJXENSONZJRG-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
289.463 g/mol |
Nominal Mass |
289 u |
Quality |
871 |
Retention Index |
2114 |
SMILES |
C1(CC2=CC=CC=C2)(OCCCN(C)C)CCCCCC1 |
SPLASH |
splash10-0k9i-9300000000-63b6338101ab7fec545c |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Benciclano
Bencyclan
Bencyclanum
3-[(1-Benzylcycloheptyl)oxy]-N,N-dimethylpropylamine |
Technique |
GC/MS |
Wiley ID |
DD2024_012092 |