| SpectraBase Spectrum ID |
Ad4Vxmu2cXf |
| Name |
Terephthalic acid, 2-isopropylphenyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.183109313 u |
| Formula |
C22H26O4 |
| InChI |
InChI=1S/C22H26O4/c1-4-5-8-15-25-21(23)17-11-13-18(14-12-17)22(24)26-20-10-7-6-9-19(20)16(2)3/h6-7,9-14,16H,4-5,8,15H2,1-3H3 |
| InChIKey |
VIQDZABWCZMDIF-UHFFFAOYSA-N |
| Molecular Weight |
354.446 g/mol |
| SMILES |
CCCCCOC(C1=CC=C(C=C1)C(OC1=CC=CC=C1C(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904419 |
