| 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 |
