| SpectraBase Spectrum ID |
16p8dgFusmd |
| Name |
4-Benzyl-2,3-acetone-D-mannosan |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.131073739 u |
| Formula |
C16H20O5 |
| InChI |
InChI=1S/C16H20O5/c1-16(2)20-13-12(17-8-10-6-4-3-5-7-10)11-9-18-15(19-11)14(13)21-16/h3-7,11-15H,8-9H2,1-2H3/t11-,12-,13+,14+,15?/m1/s1 |
| InChIKey |
WVFQZQAOUZPWQB-BUWKTABGSA-N |
| SMILES |
[C@@]1([C@@]2(OC([C@@]3([C@]1(OC(O3)(C)C)[H])[H])OC2)[H])(OCC1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935623 |
