| SpectraBase Spectrum ID |
5YcM08Og5qa |
| Name |
alpha-Cyperone |
| CAS Registry Number |
19598-45-9 |
| Classification |
PGE2 production inhibitor |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
218.167065327 u |
| Formula |
C15H22O |
| InChI |
InChI=1S/C15H22O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h8,11H,5-7,9H2,1-4H3/t11-,15+/m0/s1 |
| InChIKey |
DZOKWSREAZGFFC-XHDPSFHLSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
218.340 g/mol |
| Nominal Mass |
218 u |
| Quality |
857 |
| Retention Index |
1616 |
| SMILES |
[C@@]12(C(=CC(C(C2)=C(C)C)=O)CCC[C@@]1(C)[H])C |
| SPLASH |
splash10-03xv-4910000000-8394f37ed7ae8790456f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(4aR,5S)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025417 |
