| SpectraBase Spectrum ID |
IHMzBErSgj5 |
| Name |
Diethylmalonic acid, 4-acetylphenyl butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.178023932 u |
| Formula |
C19H26O5 |
| InChI |
InChI=1S/C19H26O5/c1-5-8-13-23-17(21)19(6-2,7-3)18(22)24-16-11-9-15(10-12-16)14(4)20/h9-12H,5-8,13H2,1-4H3 |
| InChIKey |
KOKNKQBDZDTXJR-UHFFFAOYSA-N |
| Molecular Weight |
334.412 g/mol |
| SMILES |
C(C(C(OCCCC)=O)(C(OC1=CC=C(C=C1)C(C)=O)=O)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977222 |
