| SpectraBase Spectrum ID |
30C7pnDY9mn |
| Name |
Diethyl 5-(but-1-ynyl)-2-(4-methoxyphenyl)-5-methyloxolane-3,3-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.188588616 u |
| Formula |
C22H28O6 |
| InChI |
InChI=1S/C22H28O6/c1-6-9-14-21(4)15-22(19(23)26-7-2,20(24)27-8-3)18(28-21)16-10-12-17(25-5)13-11-16/h10-13,18H,6-8,15H2,1-5H3/t18-,21-/m1/s1 |
| InChIKey |
IVPBJSCVISSGIR-WIYYLYMNSA-N |
| Molecular Weight |
388.460 g/mol |
| SMILES |
C1(C(OCC)=O)([C@](O[C@@](C1)(C#CCC)C)(C1=CC=C(C=C1)OC)[H])C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81362 |
