| SpectraBase Spectrum ID |
GJPaNWrXGmt |
| Name |
7-oxo-14,15,16-Tris-nor-labdan-13,9.alpha.-olide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.188194694 u |
| Formula |
C17H26O3 |
| InChI |
InChI=1S/C17H26O3/c1-11-12(18)10-13-15(2,3)7-5-8-16(13,4)17(11)9-6-14(19)20-17/h11,13H,5-10H2,1-4H3/t11-,13+,16+,17-/m1/s1 |
| InChIKey |
VUPCFWJBCBPSOC-NYUZSIGZSA-N |
| Molecular Weight |
278.392 g/mol |
| SMILES |
[C@]12([C@@]3([C@@](C(C)(C)CCC3)([H])CC([C@]1(C)[H])=O)C)OC(=O)CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933282 |
