SpectraBase Spectrum ID |
C1k4zOjV3S1 |
Name |
1-Deoxy-2,3,4,5-tetriacetyl-6-trityl-D-altritol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
576.235932730 u |
Formula |
C33H36O9 |
InChI |
InChI=1S/C33H36O9/c1-22(39-23(2)34)31(41-25(4)36)32(42-26(5)37)30(40-24(3)35)21-38-33(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6-20,22,30-32H,21H2,1-5H3 |
InChIKey |
YUMVNWIVSOENJD-UHFFFAOYSA-N |
Molecular Weight |
576.642 g/mol |
SMILES |
C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)OCC(C(C(C(C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921578 |