| SpectraBase Spectrum ID |
EDfLk30AGfk |
| Name |
Ethyl 2-ethoxycarbonyl-3-(1-phenethyl)heptanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.214409442 u |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/c1-5-8-14-17(15(4)16-12-10-9-11-13-16)18(19(21)23-6-2)20(22)24-7-3/h9-13,15,17-18H,5-8,14H2,1-4H3 |
| InChIKey |
XCTWZWXHVJCPBJ-UHFFFAOYSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C(C(C(CCCC)C(C)C1=CC=CC=C1)C(=O)OCC)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97886 |
