| SpectraBase Compound ID | DhAVWD19n0O |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-13(2)6-7-15(5)23-19(21)17-10-8-16(9-11-17)18(20)22-12-14(3)4/h8-11,13-15H,6-7,12H2,1-5H3 |
| InChIKey | PTKLRIVZBHLNNW-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 | 4suE6AtSgF6 |
|---|---|
| Name | Terephthalic acid, isobutyl 5-methylhex-2-yl 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/c1-13(2)6-7-15(5)23-19(21)17-10-8-16(9-11-17)18(20)22-12-14(3)4/h8-11,13-15H,6-7,12H2,1-5H3 |
| InChIKey | PTKLRIVZBHLNNW-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C1=CC(=CC=C1C(OC(CCC(C)C)C)=O)C(OCC(C)C)=O |