| SpectraBase Spectrum ID |
IrGSK4MBcOH |
| Name |
Isophthalic acid, di(4-isopropylphenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.183109313 u |
| Formula |
C26H26O4 |
| InChI |
InChI=1S/C26H26O4/c1-17(2)19-8-12-23(13-9-19)29-25(27)21-6-5-7-22(16-21)26(28)30-24-14-10-20(11-15-24)18(3)4/h5-18H,1-4H3 |
| InChIKey |
WOKRXWCROXJRHO-UHFFFAOYSA-N |
| Molecular Weight |
402.490 g/mol |
| SMILES |
C1=CC(OC(C2=CC(=CC=C2)C(OC=2C=CC(C(C)C)=CC2)=O)=O)=CC=C1C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86915 |
