| SpectraBase Spectrum ID |
AvLCrkp2SJ6 |
| Name |
Isophthalic acid, di(3,3-dimethylbut-2-yl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.214409442 u |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/c1-13(19(3,4)5)23-17(21)15-10-9-11-16(12-15)18(22)24-14(2)20(6,7)8/h9-14H,1-8H3 |
| InChIKey |
NCIPBKKHYNJWNP-UHFFFAOYSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C1(=CC=CC(=C1)C(OC(C(C)(C)C)C)=O)C(=O)OC(C(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915845 |
