| SpectraBase Spectrum ID |
6eBbi4Lmfuw |
| Name |
(2R,5S,1'R)-2-(Tert-butyl)-5-(1'-p-methoxyphenyl-3'-oxobutyl)-5-phenyl-1,3-dioxolan-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.193673997 u |
| Formula |
C24H28O5 |
| InChI |
InChI=1S/C24H28O5/c1-16(25)15-20(17-11-13-19(27-5)14-12-17)24(18-9-7-6-8-10-18)21(26)28-22(29-24)23(2,3)4/h6-14,20,22H,15H2,1-5H3/t20-,22+,24-/m1/s1 |
| InChIKey |
JZLXLHGANKSXRK-JCTONOIOSA-N |
| Molecular Weight |
396.483 g/mol |
| SMILES |
[C@@]1(C(O[C@@](O1)(C(C)(C)C)[H])=O)([C@@](C1=CC=C(C=C1)OC)(CC(=O)C)[H])C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824197 |
