| SpectraBase Spectrum ID |
3dWR3az9plq |
| Name |
3-[(S)-[3,5-Dimethoxy-4-(methoxymethoxy)phenyl]-[(2R)-2-oxiranyl]methoxy]-4-phenylmethoxybenzaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
480.178417854 u |
| Formula |
C27H28O8 |
| InChI |
InChI=1S/C27H28O8/c1-29-17-34-27-23(30-2)12-20(13-24(27)31-3)26(25-16-33-25)35-22-11-19(14-28)9-10-21(22)32-15-18-7-5-4-6-8-18/h4-14,25-26H,15-17H2,1-3H3/t25-,26+/m1/s1 |
| InChIKey |
MLRNYRPVJREHPV-FTJBHMTQSA-N |
| Molecular Weight |
480.513 g/mol |
| SMILES |
[C@@]1(OC1)([C@](C1=CC(OC)=C(C(=C1)OC)OCOC)(OC1=C(OCC2=CC=CC=C2)C=CC(=C1)C=O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961362 |
![3-[(S)-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]-[(2R)-2-oxiranyl]methoxy]-4-phenylmethoxybenzaldehyde](/api/spectrum/3dWR3az9plq/structure.png?h=300&w=458 "3-[(S)-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]-[(2R)-2-oxiranyl]methoxy]-4-phenylmethoxybenzaldehyde")
