| SpectraBase Spectrum ID |
72J9rJTZNHN |
| Name |
Terephthalic acid, butyl 2-isopropoxyphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.162373868 u |
| Formula |
C21H24O5 |
| InChI |
InChI=1S/C21H24O5/c1-4-5-14-24-20(22)16-10-12-17(13-11-16)21(23)26-19-9-7-6-8-18(19)25-15(2)3/h6-13,15H,4-5,14H2,1-3H3 |
| InChIKey |
CTYGYUBFNHRKBO-UHFFFAOYSA-N |
| Molecular Weight |
356.418 g/mol |
| SMILES |
CCCCOC(=O)C1=CC=C(C=C1)C(=O)OC1=CC=CC=C1OC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889429 |
