| SpectraBase Spectrum ID |
126Oqhvaqrk |
| Name |
.Delta.9-capnellene-2.epsilon.-ol-8-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.161979946 u |
| Formula |
C15H22O2 |
| InChI |
InChI=1S/C15H22O2/c1-8-10(16)7-9-11(8)12-14(2,3)5-6-15(12,4)13(9)17/h9,12-13,17H,5-7H2,1-4H3/t9-,12-,13+,15+/m1/s1 |
| InChIKey |
QGFPKOJAZZHYRD-JWFUOXDNSA-N |
| Molecular Weight |
234.339 g/mol |
| SMILES |
C1=2[C@]3([C@@](CCC3(C)C)(C)[C@]([C@@]1(CC(C2C)=O)[H])(O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856741 |
