| SpectraBase Spectrum ID |
J6EIuEKJ4gi |
| Name |
1,3:2,5-Diformal-L-rhamnitol benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.068867403 u |
| Formula |
C15H14O8 |
| InChI |
InChI=1S/C15H14O8/c1-8-11(22-13(16)9-5-3-2-4-6-9)12-10(21-15(18)20-8)7-19-14(17)23-12/h2-6,8,10-12H,7H2,1H3 |
| InChIKey |
FELCMCGTKMOSIF-UHFFFAOYSA-N |
| Molecular Weight |
322.269 g/mol |
| SMILES |
C12C(OC(OC(C2OC(=O)C2=CC=CC=C2)C)=O)COC(O1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968128 |
