| SpectraBase Spectrum ID |
2fbpjEc0EAz |
| Name |
(2S,4S,6R,10S)-4-Allyl-2-butyl-10-methoxy-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/c1-4-6-7-15-11-16(18,9-5-2)13-17(21-15)12-14(19-3)8-10-20-17/h5,14-15,18H,2,4,6-13H2,1,3H3/t14-,15-,16-,17+/m0/s1 |
| InChIKey |
QQOZAOXVNMUYMX-LUKYLMHMSA-N |
| SMILES |
[C@@]1(CCCC)(C[C@@](O)(CC=C)C[C@]2(O1)C[C@](CCO2)(OC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93774 |
![(2S,4S,6R,10S)-4-Allyl-2-butyl-10-methoxy-1,7-dioxaspiro[5.5]undecan-4-ol](/api/spectrum/2fbpjEc0EAz/structure.png?h=300&w=458 "(2S,4S,6R,10S)-4-Allyl-2-butyl-10-methoxy-1,7-dioxaspiro[5.5]undecan-4-ol")
