| SpectraBase Spectrum ID |
F5qbKmZzBwX |
| Name |
8-[(E)-3-Hydroxybut-1-enyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octane-3,8-diol diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.172938551 u |
| Formula |
C17H26O6 |
| InChI |
InChI=1S/C17H26O6/c1-11(22-12(2)18)6-7-17(20)15(4)8-14(23-13(3)19)9-16(17,5)21-10-15/h6-7,11,14,20H,8-10H2,1-5H3/b7-6+ |
| InChIKey |
RCOMRBZVQWSJDC-VOTSOKGWSA-N |
| Molecular Weight |
326.389 g/mol |
| SMILES |
C1C(CC2(C(C1(CO2)C)(\C=C\C(OC(C)=O)C)O)C)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964735 |
![8-[(E)-3-Hydroxybut-1-enyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octane-3,8-diol diacetate](/api/spectrum/F5qbKmZzBwX/structure.png?h=300&w=458 "8-[(E)-3-Hydroxybut-1-enyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octane-3,8-diol diacetate")
