| SpectraBase Spectrum ID |
DRCGQAxESQJ |
| Name |
1-Deoxy-3,4-o-isopropylidene-6-o-trityl-D-allose |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.224974125 u |
| Formula |
C28H32O5 |
| InChI |
InChI=1S/C28H32O5/c1-20(29)25-26(33-27(2,3)32-25)24(30)19-31-28(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,20,24-26,29-30H,19H2,1-3H3/t20-,24-,25-,26+/m0/s1 |
| InChIKey |
ZFJHJIHCHXXTIE-PCWWUVHHSA-N |
| Molecular Weight |
448.559 g/mol |
| SMILES |
[C@@]1([C@@](OC(O1)(C)C)([C@@](O)(C)[H])[H])([C@](COC(C=1C=CC=CC1)(C=1C=CC=CC1)C1=CC=CC=C1)(O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.802534 |
