| SpectraBase Spectrum ID |
31tOyllCT5T |
| Name |
Diethylmalonic acid, 4-acetylphenyl isobutyl 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/c1-6-19(7-2,17(21)23-12-13(3)4)18(22)24-16-10-8-15(9-11-16)14(5)20/h8-11,13H,6-7,12H2,1-5H3 |
| InChIKey |
OOPZZDQZXIRFMQ-UHFFFAOYSA-N |
| Molecular Weight |
334.412 g/mol |
| SMILES |
C(C(C(OCC(C)C)=O)(C(OC1=CC=C(C=C1)C(C)=O)=O)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912309 |
