| SpectraBase Spectrum ID |
3WcMljULPoO |
| Name |
(3R)-3-Benzoyloxy-8-(2'-tetrahydropyranyl)-1-octene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.198759378 u |
| Formula |
C20H28O4 |
| InChI |
InChI=1S/C20H28O4/c1-2-18(24-20(21)17-9-5-3-6-10-17)11-7-4-8-14-23-19-12-15-22-16-13-19/h2-3,5-6,9-10,18-19H,1,4,7-8,11-16H2/t18-/m0/s1 |
| InChIKey |
NYHUZEOPTCERMP-SFHVURJKSA-N |
| Molecular Weight |
332.440 g/mol |
| SMILES |
C(O[C@@](C=C)(CCCCCOC1CCOCC1)[H])(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941306 |
