| SpectraBase Spectrum ID |
JhX1KQEhJdv |
| Name |
(1S,2R)-1,3-o-Benzylidene-1-(4-benzyloxy-3-methoxyphenyl)-2-(4-formyl-2-methoxyphenoxy)propane-1,3-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
526.199153299 u |
| Formula |
C32H30O7 |
| InChI |
InChI=1S/C32H30O7/c1-34-28-17-23(19-33)13-15-27(28)38-30-21-37-32(24-11-7-4-8-12-24)39-31(30)25-14-16-26(29(18-25)35-2)36-20-22-9-5-3-6-10-22/h3-19,30-32H,20-21H2,1-2H3/t30-,31+,32?/m1/s1 |
| InChIKey |
FPTGQPGNYGVVNG-ZYWOQNTESA-N |
| Molecular Weight |
526.585 g/mol |
| SMILES |
[C@@]1(OC(OC[C@]1(OC=1C(=CC(=CC1)C=O)OC)[H])C=1C=CC=CC1)(C=1C=C(OC)C(=CC1)OCC=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942697 |
