| SpectraBase Compound ID | AyGp4TrJEcD |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-4-6-7-8-9-14-23-19(21)17-10-12-18(13-11-17)20(22)24-15-16(3)5-2/h10-13,16H,4-9,14-15H2,1-3H3 |
| InChIKey | LFMKOFSJHLKCHL-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7jRl3sGpVB8 |
|---|---|
| Name | Terephthalic acid, heptyl 2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-4-6-7-8-9-14-23-19(21)17-10-12-18(13-11-17)20(22)24-15-16(3)5-2/h10-13,16H,4-9,14-15H2,1-3H3 |
| InChIKey | LFMKOFSJHLKCHL-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(COC(C1=CC=C(C=C1)C(OCCCCCCC)=O)=O)(CC)C |