| SpectraBase Spectrum ID |
7GRM9kGRdC9 |
| Name |
Cyclandelate |
| CAS Registry Number |
456-59-7 |
| Classification |
Vasodilator |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
276.172544630 u |
| Formula |
C17H24O3 |
| InChI |
InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3 |
| InChIKey |
WZHCOOQXZCIUNC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
276.376 g/mol |
| SMILES |
c1(ccccc1)C(C(OC1CC(CC(C1)(C)C)C)=O)O |
| SPLASH |
splash10-0ar0-9300000000-061c495d289fb5d95083 |
| 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. |
| 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_7524 |
