SpectraBase Spectrum ID |
Ch3UFBHKMAr |
Name |
3,4-bis[o-Allyl]-2,5-bis(o-benzyl)-L-,ido.-hexodialdose |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
438.204238680 u |
Formula |
C26H30O6 |
InChI |
InChI=1S/C26H30O6/c1-3-15-29-25(23(17-27)31-19-21-11-7-5-8-12-21)26(30-16-4-2)24(18-28)32-20-22-13-9-6-10-14-22/h3-14,17-18,23-26H,1-2,15-16,19-20H2/t23-,24-,25+,26+/m0/s1 |
InChIKey |
OKLVKMZJPKBIGN-QEGGNFSNSA-N |
Molecular Weight |
438.520 g/mol |
SMILES |
[C@@]([C@@]([C@@](OCC=1C=CC=CC1)(C=O)[H])(OCC=C)[H])([C@@](OCC=1C=CC=CC1)(C=O)[H])(OCC=C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968738 |