| SpectraBase Spectrum ID |
54SbrZvjPs |
| Name |
Bencyclane-M (HO-) isomer-1 |
| Classification |
Vasodilator |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| 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 |
splash10-0pbi-9310000000-a7e4a5f8cea93686c889 |
| 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_2297 |
