| SpectraBase Spectrum ID |
843RQRT0O6W |
| Name |
Bencyclane-M (HO-) isomer-1 AC |
| Classification |
Vasodilator |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
347.246043924 u |
| Formula |
C21H33NO3 |
| InChI |
InChI=1S/C21H33NO3/c1-18(23)25-20-12-7-8-13-21(17-20,24-15-9-14-22(2)3)16-19-10-5-4-6-11-19/h4-6,10-11,20H,7-9,12-17H2,1-3H3 |
| InChIKey |
GHZMZGFLLMGDER-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
347.499 g/mol |
| SMILES |
c1(ccccc1)CC1(OCCCN(C)C)CCCCC(C1)OC(C)=O |
| SPLASH |
splash10-0pbi-9300000000-f41e0f7c49736238e19a |
| 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+UHYAC |
| 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_2301 |
