| SpectraBase Spectrum ID |
L41AhNlBpbm |
| Name |
Terephthalic acid, 2,2-dichloroethyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.042564391 u |
| Formula |
C14H16Cl2O4 |
| InChI |
InChI=1S/C14H16Cl2O4/c1-9(2)7-19-13(17)10-3-5-11(6-4-10)14(18)20-8-12(15)16/h3-6,9,12H,7-8H2,1-2H3 |
| InChIKey |
YKWUTPPQDRCBEJ-UHFFFAOYSA-N |
| Molecular Weight |
319.184 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCC(C)C)=O)C(OCC(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924998 |
