| SpectraBase Spectrum ID |
5jNkWv3yLtb |
| Name |
Dimethylmalonic acid, ethyl 2-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.120509056 u |
| Formula |
C14H18O4 |
| InChI |
InChI=1S/C14H18O4/c1-5-17-12(15)14(3,4)13(16)18-11-9-7-6-8-10(11)2/h6-9H,5H2,1-4H3 |
| InChIKey |
ZALSQJZHOKEFPD-UHFFFAOYSA-N |
| Molecular Weight |
250.294 g/mol |
| SMILES |
CC1=CC=CC=C1OC(=O)C(C)(C)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852047 |
