| SpectraBase Spectrum ID |
FmXSDFIMTgo |
| Name |
Terephthalic acid, butyl 4-methylhept-3-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/c1-5-8-14-23-19(21)16-10-12-17(13-11-16)20(22)24-18(7-3)15(4)9-6-2/h10-13,15,18H,5-9,14H2,1-4H3 |
| InChIKey |
IMNRFXGEROVBSX-UHFFFAOYSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCC)=O)C(=O)OC(C(C)CCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961799 |
