| SpectraBase Spectrum ID |
BHSNhu1iW7O |
| Name |
Diethyl 2,6-dimethylterephthalate |
| 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/c1-5-17-13(15)11-7-9(3)12(10(4)8-11)14(16)18-6-2/h7-8H,5-6H2,1-4H3 |
| InChIKey |
SFIMTKVOVRYIGN-UHFFFAOYSA-N |
| Molecular Weight |
250.294 g/mol |
| SMILES |
C(C1=C(C=C(C=C1C)C(=O)OCC)C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952022 |
