| SpectraBase Spectrum ID |
94aF78Ockye |
| Name |
Bencyclane-M (HO-oxo-) HY |
| Classification |
Vasodilator |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
234.125594437 u |
| Formula |
C14H18O3 |
| InChI |
InChI=1S/C14H18O3/c15-12-7-4-8-14(17,10-13(12)16)9-11-5-2-1-3-6-11/h1-3,5-6,12,15,17H,4,7-10H2 |
| InChIKey |
JPWXDJQWRQIXGT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
234.295 g/mol |
| SMILES |
c1(CC2(O)CCCC(O)C(=O)C2)ccccc1 |
| SPLASH |
splash10-0a59-2910000000-b51c17c2020363daf44e |
| 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: UHY |
| 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_2320 |
