| SpectraBase Spectrum ID |
1x5dbE5Inim |
| Name |
Isophthalic acid, isobutyl 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/c1-11(2)9-19-15(17)13-6-5-7-14(8-13)16(18)20-10-12(3)4/h5-8,12H,1,9-10H2,2-4H3 |
| InChIKey |
LYYMINXRIAPCJW-UHFFFAOYSA-N |
| SMILES |
C(C1=CC(=CC=C1)C(OCC(C)C)=O)(OCC(C)=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845191 |
