| SpectraBase Spectrum ID |
1eDh3uatamh |
| Name |
Diethyl 2-(4-methoxyphenyl)-5-(phenylethynyl)-5-propyloxolane-3,3-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
464.219888744 u |
| Formula |
C28H32O6 |
| InChI |
InChI=1S/C28H32O6/c1-5-18-27(19-17-21-11-9-8-10-12-21)20-28(25(29)32-6-2,26(30)33-7-3)24(34-27)22-13-15-23(31-4)16-14-22/h8-16,24H,5-7,18,20H2,1-4H3/t24-,27-/m1/s1 |
| InChIKey |
GMPJBPFZKKEDMD-SHQCIBLASA-N |
| Molecular Weight |
464.558 g/mol |
| SMILES |
C1(C(OCC)=O)([C@](O[C@](CCC)(C#CC2=CC=CC=C2)C1)(C1=CC=C(C=C1)OC)[H])C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923909 |
