| SpectraBase Spectrum ID |
9AhPOb1a9lO |
| Name |
(2R,3S)-4-(Benzyloxy)-2,3-bis[(methoxymethyl)oxy-1-(4-methoxyphenyl)butan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.183503235 u |
| Formula |
C22H28O7 |
| InChI |
InChI=1S/C22H28O7/c1-24-15-28-20(14-27-13-17-7-5-4-6-8-17)22(29-16-25-2)21(23)18-9-11-19(26-3)12-10-18/h4-12,20,22H,13-16H2,1-3H3/t20-,22+/m0/s1 |
| InChIKey |
DPWLEYFIJPUFFU-RBBKRZOGSA-N |
| Molecular Weight |
404.459 g/mol |
| SMILES |
C([C@@]([C@@](OCOC)(COCC1=CC=CC=C1)[H])(OCOC)[H])(C1=CC=C(C=C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967144 |
