| SpectraBase Spectrum ID |
GXbQsabElwq |
| Name |
Succinic acid, 2,5-dimethylphenyl ethyl 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/c1-4-17-13(15)7-8-14(16)18-12-9-10(2)5-6-11(12)3/h5-6,9H,4,7-8H2,1-3H3 |
| InChIKey |
YDTPDMQUQRWNRF-UHFFFAOYSA-N |
| Molecular Weight |
250.294 g/mol |
| SMILES |
CCOC(CCC(OC=1C(C)=CC=C(C)C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924076 |
