| SpectraBase Spectrum ID |
IkYQC4nyNGn |
| Name |
Diethyl 5-(but-1-ynyl)-5-methyl-2-((E)-2-phenylethenyl)oxolane-3,3-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.193673997 u |
| Formula |
C23H28O5 |
| InChI |
InChI=1S/C23H28O5/c1-5-8-16-22(4)17-23(20(24)26-6-2,21(25)27-7-3)19(28-22)15-14-18-12-10-9-11-13-18/h9-15,19H,5-7,17H2,1-4H3/b15-14+/t19-,22-/m1/s1 |
| InChIKey |
IOKHTHNXDFMQOC-FHFXGYIMSA-N |
| Molecular Weight |
384.472 g/mol |
| SMILES |
C1(C(OCC)=O)([C@](O[C@@](C1)(C#CCC)C)(\C=C\C1=CC=CC=C1)[H])C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92235 |
