| SpectraBase Spectrum ID |
FapzjHr5gaA |
| Name |
1,2,4,6-Tetra-o-benzyl-3,5-o-methylene-mannitol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
554.266838938 u |
| Formula |
C35H38O6 |
| InChI |
InChI=1S/C35H38O6/c1-5-13-28(14-6-1)21-36-25-32(38-23-30-17-9-3-10-18-30)35-34(39-24-31-19-11-4-12-20-31)33(40-27-41-35)26-37-22-29-15-7-2-8-16-29/h1-20,32-35H,21-27H2 |
| InChIKey |
OXRKOCZOBSRAQJ-UHFFFAOYSA-N |
| Molecular Weight |
554.683 g/mol |
| SMILES |
C(COCC1=CC=CC=C1)(OCC1=CC=CC=C1)C1C(OCC2=CC=CC=C2)C(OCO1)COCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934979 |
