| SpectraBase Spectrum ID |
C0IUECYdOxg |
| Name |
(+)-14,15-bisnorlabda-7-ene-13-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.229665585 u |
| Formula |
C18H30O |
| InChI |
InChI=1S/C18H30O/c1-13-7-10-16-17(3,4)11-6-12-18(16,5)15(13)9-8-14(2)19/h7,15-16H,6,8-12H2,1-5H3/t15-,16-,18+/m0/s1 |
| InChIKey |
PPXXPCVCAHJUQP-XYJFISCASA-N |
| Molecular Weight |
262.437 g/mol |
| SMILES |
[C@]12([C@@](CC=C([C@@]2(CCC(=O)C)[H])C)(C(C)(C)CCC1)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945307 |
