| SpectraBase Compound ID | 6Ko5VC6OkMO |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-5-7-13-22-18(20)15-9-11-16(12-10-15)19(21)23-17(8-6-2)14(3)4/h9-12,14,17H,5-8,13H2,1-4H3 |
| InChIKey | MQCHJVHDZBJHDA-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CeHpxnjpT18 |
|---|---|
| Name | Terephthalic acid, 2-methylhex-3-yl butyl 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/c1-5-7-13-22-18(20)15-9-11-16(12-10-15)19(21)23-17(8-6-2)14(3)4/h9-12,14,17H,5-8,13H2,1-4H3 |
| InChIKey | MQCHJVHDZBJHDA-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCC)=O)C(OC(C(C)C)CCC)=O |