| SpectraBase Spectrum ID |
NC4x3o1DnW |
| Name |
Diethyl 5-(but-1-ynyl)-5-methyl-2-pentyloxolane-3,3-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.224974125 u |
| Formula |
C20H32O5 |
| InChI |
InChI=1S/C20H32O5/c1-6-10-12-13-16-20(17(21)23-8-3,18(22)24-9-4)15-19(5,25-16)14-11-7-2/h16H,6-10,12-13,15H2,1-5H3/t16-,19-/m1/s1 |
| InChIKey |
XHUCXBXGSLDXBW-VQIMIIECSA-N |
| Molecular Weight |
352.471 g/mol |
| SMILES |
C1(C[C@](O[C@@]1(CCCCC)[H])(C#CCC)C)(C(OCC)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985251 |
