| SpectraBase Spectrum ID |
FCgk8f1EEne |
| Name |
3,9-Diacetoxy-6-hydroxy-5,6-dihydro-.beta.-ionol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.193673997 u |
| Formula |
C17H28O5 |
| InChI |
InChI=1S/C17H28O5/c1-11-9-15(22-14(4)19)10-16(5,6)17(11,20)8-7-12(2)21-13(3)18/h7-8,11-12,15,20H,9-10H2,1-6H3/b8-7+/t11-,12+,15+,17-/m0/s1 |
| InChIKey |
MHDMVNSFLCBTBQ-SMDPMMPGSA-N |
| Molecular Weight |
312.406 g/mol |
| SMILES |
[C@]1(C(C[C@@](C[C@@]1(C)[H])(OC(=O)C)[H])(C)C)(\C=C\[C@](OC(=O)C)(C)[H])O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878986 |
