| SpectraBase Spectrum ID |
5w0W1uEjvlr |
| Name |
Isophthalic acid, di(4-methylpent-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(2)10-15(5)23-19(21)17-8-7-9-18(12-17)20(22)24-16(6)11-14(3)4/h7-9,12-16H,10-11H2,1-6H3 |
| InChIKey |
NFCTTZMRCXLWBW-UHFFFAOYSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C1=CC(=CC(=C1)C(=O)OC(CC(C)C)C)C(OC(CC(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977611 |
