| SpectraBase Spectrum ID |
6pLiDSVvT7Q |
| Name |
Diethyl 5-methyl-2-pentyl-5-(phenylethynyl)oxolane-3,3-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.224974125 u |
| Formula |
C24H32O5 |
| InChI |
InChI=1S/C24H32O5/c1-5-8-10-15-20-24(21(25)27-6-2,22(26)28-7-3)18-23(4,29-20)17-16-19-13-11-9-12-14-19/h9,11-14,20H,5-8,10,15,18H2,1-4H3/t20-,23-/m1/s1 |
| InChIKey |
SKCDQBAWDMNMME-NFBKMPQASA-N |
| Molecular Weight |
400.515 g/mol |
| SMILES |
C1(C[C@@](O[C@@]1(CCCCC)[H])(C)C#CC=1C=CC=CC1)(C(OCC)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959706 |
