| SpectraBase Spectrum ID |
B1KNfSCIb2g |
| Name |
Bencyclane |
| CAS Registry Number |
2179-37-5 |
| Classification |
Vasodilator |
| Copyright |
Copyright © 2023-2024 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 |
| SMILES |
C1(CCCCCC1)(OCCCN(C)C)Cc1ccccc1 |
| SPLASH |
splash10-0a4i-9200000000-6ddcc99664b1e28abcaa |
| 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: G 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_79 |
