| SpectraBase Spectrum ID |
BkbTXjUkMpD |
| Name |
Terephthalic acid, 2-ethoxyethyl isobutyl 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/c1-4-19-9-10-20-15(17)13-5-7-14(8-6-13)16(18)21-11-12(2)3/h5-8,12H,4,9-11H2,1-3H3 |
| InChIKey |
NJTZCUQILIONMT-UHFFFAOYSA-N |
| Molecular Weight |
294.347 g/mol |
| SMILES |
CC(COC(=O)C1=CC=C(C=C1)C(=O)OCCOCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932267 |
