| SpectraBase Compound ID | JHWXZmZ2e8S |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-4-6-7-8-9-10-16-24-20(22)18-12-14-19(15-13-18)21(23)25-17(3)11-5-2/h12-15,17H,4-11,16H2,1-3H3 |
| InChIKey | XBSDGGKNHVARBM-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 | Lmg1IkCoRNy |
|---|---|
| Name | Terephthalic acid, octyl 2-pentyl 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/c1-4-6-7-8-9-10-16-24-20(22)18-12-14-19(15-13-18)21(23)25-17(3)11-5-2/h12-15,17H,4-11,16H2,1-3H3 |
| InChIKey | XBSDGGKNHVARBM-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCCCCCC)=O)C(OC(CCC)C)=O |