| SpectraBase Compound ID | Cr9eAd1qJ04 |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-5-6-13-22-18(20)16-9-11-17(12-10-16)19(21)23-14-7-8-15(2)3/h9-12,15H,4-8,13-14H2,1-3H3 |
| InChIKey | YXVZOLQQMOETPZ-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 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 | 2sMHx9xhXPi |
|---|---|
| Name | Terephthalic acid, isohexyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-4-5-6-13-22-18(20)16-9-11-17(12-10-16)19(21)23-14-7-8-15(2)3/h9-12,15H,4-8,13-14H2,1-3H3 |
| InChIKey | YXVZOLQQMOETPZ-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(OCCCC(C)C)(=O)C1=CC=C(C=C1)C(=O)OCCCCC |