| SpectraBase Spectrum ID |
ICmAiopaz47 |
| Name |
Terephthalic acid, 2-methoxyethyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.146723803 u |
| Formula |
C16H22O5 |
| InChI |
InChI=1S/C16H22O5/c1-3-4-5-10-20-15(17)13-6-8-14(9-7-13)16(18)21-12-11-19-2/h6-9H,3-5,10-12H2,1-2H3 |
| InChIKey |
UPOISZDCHPOXSB-UHFFFAOYSA-N |
| Molecular Weight |
294.347 g/mol |
| SMILES |
CCCCCOC(C1=CC=C(C(OCCOC)=O)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921177 |
