| SpectraBase Compound ID | 5ev7Ogk7ZZI |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-14(2)8-7-11-22-17(20)15-9-6-10-16(12-15)18(21)23-13-19(3,4)5/h6,9-10,12,14H,7-8,11,13H2,1-5H3 |
| InChIKey | NWBFXIMOOYELGJ-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 | 7qcVXFNMuQG |
|---|---|
| Name | Isophthalic acid, isohexyl neopentyl 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/c1-14(2)8-7-11-22-17(20)15-9-6-10-16(12-15)18(21)23-13-19(3,4)5/h6,9-10,12,14H,7-8,11,13H2,1-5H3 |
| InChIKey | NWBFXIMOOYELGJ-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(C1=CC(=CC=C1)C(OCCCC(C)C)=O)(OCC(C)(C)C)=O |