| SpectraBase Spectrum ID |
ApeEJOA6fGU |
| Name |
(2R,4S,6S)-2-[(5'R,2'E)-6'-Hydroxy-3',5'-dimethylhex-2'-enyl]-1,7-dioxaspiro[5,5]undecan-4-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.214409442 u |
| Formula |
C17H30O4 |
| InChI |
InChI=1S/C17H30O4/c1-13(9-14(2)12-18)5-6-16-10-15(19)11-17(21-16)7-3-4-8-20-17/h5,14-16,18-19H,3-4,6-12H2,1-2H3/b13-5+/t14-,15+,16-,17+/m1/s1 |
| InChIKey |
SIOIFIQRQHVOBD-UCYUFLIOSA-N |
| SMILES |
[C@@]12(O[C@@](C\C=C\(C[C@](CO)(C)[H])C)([H])C[C@@](C2)(O)[H])OCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869447 |
![(2R,4S,6S)-2-[(5'R,2'E)-6'-Hydroxy-3',5'-dimethylhex-2'-enyl]-1,7-dioxaspiro[5,5]undecan-4-ol](/api/spectrum/ApeEJOA6fGU/structure.png?h=300&w=458 "(2R,4S,6S)-2-[(5'R,2'E)-6'-Hydroxy-3',5'-dimethylhex-2'-enyl]-1,7-dioxaspiro[5,5]undecan-4-ol")
