| SpectraBase Spectrum ID |
8Swa0Zcluy5 |
| Name |
(+)-12-oxo-.alpha.-cyperone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.146329882 u |
| Formula |
C15H20O2 |
| InChI |
InChI=1S/C15H20O2/c1-10(9-16)12-4-6-15(3)7-5-14(17)11(2)13(15)8-12/h9,12H,1,4-8H2,2-3H3/t12-,15+/m1/s1 |
| InChIKey |
VXHHPCDLITYJEK-DOMZBBRYSA-N |
| Molecular Weight |
232.323 g/mol |
| SMILES |
C12=C(C(=O)CC[C@@]2(CC[C@](C1)(C(=C)C=O)[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850738 |
