| SpectraBase Spectrum ID |
9TfWOcQAIkg |
| Name |
Bencyclane-M (HO-oxo-) HYAC |
| Classification |
Vasodilator |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
276.136159120 u |
| Formula |
C16H20O4 |
| InChI |
InChI=1S/C16H20O4/c1-12(17)20-16(10-13-6-3-2-4-7-13)9-5-8-14(18)15(19)11-16/h2-4,6-7,14,18H,5,8-11H2,1H3 |
| InChIKey |
PBNQLGNONLNYGO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
276.332 g/mol |
| SMILES |
c1(ccccc1)CC1(CCCC(O)C(=O)C1)OC(C)=O |
| SPLASH |
splash10-0a4i-1950000000-cd4c61a9551b3b02ad15 |
| 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: 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_2319 |
