| SpectraBase Spectrum ID |
472dcgyiM50 |
| Name |
.beta.-D-Xylofuranose, 3-C-methyl-, 1,2-diacetate 3,5-dibenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
456.142032344 u |
| Formula |
C24H24O9 |
| InChI |
InChI=1S/C24H24O9/c1-15(25)30-20-23(31-16(2)26)32-19(14-29-21(27)17-10-6-4-7-11-17)24(20,3)33-22(28)18-12-8-5-9-13-18/h4-13,19-20,23H,14H2,1-3H3/t19-,20+,23-,24+/m1/s1 |
| InChIKey |
PYHAGHQSRVMREB-JDBUVZGPSA-N |
| Molecular Weight |
456.447 g/mol |
| SMILES |
[C@@]1([C@]([C@](OC(=O)C)(O[C@@]1(COC(=O)C=1C=CC=CC1)[H])[H])(OC(=O)C)[H])(OC(=O)C=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955994 |
