| SpectraBase Spectrum ID |
5rYagnyiT7z |
| Name |
Isophthalic acid, isobutyl 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/c1-14(2)13-24-20(22)16-8-7-9-17(12-16)21(23)26-19-11-6-5-10-18(19)25-15(3)4/h5-12,14-15H,13H2,1-4H3 |
| InChIKey |
XFSDQVDGYUQIHZ-UHFFFAOYSA-N |
| Molecular Weight |
356.418 g/mol |
| SMILES |
C1=CC(OC(C2=CC(=CC=C2)C(OCC(C)C)=O)=O)=C(C=C1)OC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.814259 |
