| SpectraBase Spectrum ID |
2sy7LZZoZhG |
| Name |
Isophthalic acid, ethyl 3-methylbut-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.136159120 u |
| Formula |
C15H20O4 |
| InChI |
InChI=1S/C15H20O4/c1-5-18-14(16)12-7-6-8-13(9-12)15(17)19-11(4)10(2)3/h6-11H,5H2,1-4H3 |
| InChIKey |
FARIRUQNOWBQQI-UHFFFAOYSA-N |
| Molecular Weight |
264.321 g/mol |
| SMILES |
CC(C)C(C)OC(C1=CC(=CC=C1)C(OCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804005 |
