| SpectraBase Spectrum ID |
5hoclNaiOo6 |
| Name |
T-Butyl (3R*,5S*,6E)-7-phenyl-3,5-isopropylidenedioxy-6-heptenoate |
| 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/c1-19(2,3)24-18(21)14-17-13-16(22-20(4,5)23-17)12-11-15-9-7-6-8-10-15/h6-12,16-17H,13-14H2,1-5H3/b12-11+/t16-,17-/m1/s1 |
| InChIKey |
FHYDIICPTOWBRI-CSLLIFPHSA-N |
| Molecular Weight |
332.440 g/mol |
| SMILES |
C1(O[C@@](CC(OC(C)(C)C)=O)(C[C@@](\C=C\C=2C=CC=CC2)(O1)[H])[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.990115 |
