| SpectraBase Spectrum ID |
IFC73hxgJz2 |
| Name |
Isophthalic acid, butyl 2-methylprop-2-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.136159120 u |
| Formula |
C16H20O4 |
| InChI |
InChI=1S/C16H20O4/c1-4-5-9-19-15(17)13-7-6-8-14(10-13)16(18)20-11-12(2)3/h6-8,10H,2,4-5,9,11H2,1,3H3 |
| InChIKey |
WEYVRPSMMVNLFS-UHFFFAOYSA-N |
| SMILES |
C(C1=CC(=CC=C1)C(OCCCC)=O)(OCC(C)=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945055 |
