| SpectraBase Spectrum ID |
6m5QolBCcs9 |
| Name |
Bencyclane-M (HO-oxo-) HY2AC |
| Classification |
Vasodilator |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
318.146723803 u |
| Formula |
C18H22O5 |
| InChI |
InChI=1S/C18H22O5/c1-13(19)22-17-9-6-10-18(12-16(17)21,23-14(2)20)11-15-7-4-3-5-8-15/h3-5,7-8,17H,6,9-12H2,1-2H3 |
| InChIKey |
XILCJRFZPGIMDY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
318.369 g/mol |
| SMILES |
c1(CC2(OC(C)=O)CCCC(OC(=O)C)C(=O)C2)ccccc1 |
| SPLASH |
splash10-004i-0491000000-c1d77033a0270b2a66de |
| 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_2317 |
