| SpectraBase Spectrum ID |
6qvHlpyTuWD |
| Name |
(1S,3ar,6as)-1-Undecyl-1,3A,4,5,6,6A-hexahydrocyclopenta[C]furan-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.240230268 u |
| Formula |
C18H32O2 |
| InChI |
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-14-17-15-12-11-13-16(15)18(19)20-17/h15-17H,2-14H2,1H3/t15-,16+,17-/m0/s1 |
| InChIKey |
OINITXHBIQFLSP-BBWFWOEESA-N |
| SMILES |
C1(O[C@@](CCCCCCCCCCC)([C@@]2([C@]1(CCC2)[H])[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955078 |
![(1S,3aR,6aS)-1-undecyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one](/api/spectrum/6qvHlpyTuWD/structure.png?h=300&w=458 "(1S,3aR,6aS)-1-undecyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one")
