| SpectraBase Spectrum ID |
E8IRjyuOMQF |
| Name |
(3S,4S,5R)-4,5-o-Isopropylidene-3-benzyloxy-4,5-dihydroxy-4-methyl-hexane-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.167459249 u |
| Formula |
C17H24O4 |
| InChI |
InChI=1S/C17H24O4/c1-12(18)15(19-11-14-9-7-6-8-10-14)17(5)13(2)20-16(3,4)21-17/h6-10,13,15H,11H2,1-5H3/t13-,15-,17+/m1/s1 |
| InChIKey |
KXTUJMDHCIUIHA-UNEWFSDZSA-N |
| SMILES |
C[C@@]1([C@@]([C@@](C(C)=O)(OCC=2C=CC=CC2)[H])(OC(C)(C)O1)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816679 |
