| SpectraBase Spectrum ID |
1yHwcnmp0KB |
| Name |
Diethyl (4R,5R)-4-benzyloxy-5-hydroxy-2,6-octandienoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.157288487 u |
| Formula |
C19H24O6 |
| InChI |
InChI=1S/C19H24O6/c1-3-23-18(21)12-10-16(20)17(11-13-19(22)24-4-2)25-14-15-8-6-5-7-9-15/h5-13,16-17,20H,3-4,14H2,1-2H3/b12-10+,13-11+/t16-,17-/m1/s1 |
| InChIKey |
MBBQJAQHKXJIQO-INYWQRSASA-N |
| Molecular Weight |
348.395 g/mol |
| SMILES |
C(\C=C\[C@@](OCC=1C=CC=CC1)([C@@](\C=C\C(=O)OCC)(O)[H])[H])(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867598 |
