| SpectraBase Spectrum ID |
L4hM1XEbZHP |
| Name |
Diethylmalonic acid, ethyl 2-isopropylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.183109313 u |
| Formula |
C18H26O4 |
| InChI |
InChI=1S/C18H26O4/c1-6-18(7-2,16(19)21-8-3)17(20)22-15-12-10-9-11-14(15)13(4)5/h9-13H,6-8H2,1-5H3 |
| InChIKey |
ISUOTBCDLNJIKO-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
CCC(C(OCC)=O)(C(OC=1C(C(C)C)=CC=CC1)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910515 |
