| SpectraBase Spectrum ID |
2KwGhyYDsF4 |
| Name |
Terephthalic acid, di(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 |
306.183109313 u |
| Formula |
C18H26O4 |
| InChI |
InChI=1S/C18H26O4/c1-11(2)13(5)21-17(19)15-7-9-16(10-8-15)18(20)22-14(6)12(3)4/h7-14H,1-6H3 |
| InChIKey |
IJLDTTKUGDCXNJ-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OC(C(C)C)C)=O)C(OC(C)C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940382 |
