| SpectraBase Compound ID | 15mBIE3hqpf |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-5-7-8-9-10-15-24-20(22)17-11-13-18(14-12-17)21(23)25-19(6-2)16(3)4/h11-14,16,19H,5-10,15H2,1-4H3 |
| InChIKey | ALLBWKRLUTYKCP-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 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 | EIm5Yt4QZML |
|---|---|
| Name | Terephthalic acid, heptyl 2-methylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-5-7-8-9-10-15-24-20(22)17-11-13-18(14-12-17)21(23)25-19(6-2)16(3)4/h11-14,16,19H,5-10,15H2,1-4H3 |
| InChIKey | ALLBWKRLUTYKCP-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C(C(OC(C1=CC=C(C(OCCCCCCC)=O)C=C1)=O)CC)(C)C |