| SpectraBase Compound ID | FBTad23bD2r |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-4-5-6-7-8-9-10-15-25-21(23)19-12-11-13-20(17-19)22(24)26-16-14-18(2)3/h11-13,17-18H,4-10,14-16H2,1-3H3 |
| InChIKey | DRFPPVGXYBANBW-UHFFFAOYSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Eav94ddcwA |
|---|---|
| Name | Isophthalic acid, 3-methylbutyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-4-5-6-7-8-9-10-15-25-21(23)19-12-11-13-20(17-19)22(24)26-16-14-18(2)3/h11-13,17-18H,4-10,14-16H2,1-3H3 |
| InChIKey | DRFPPVGXYBANBW-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C1(=CC=CC(=C1)C(OCCC(C)C)=O)C(=O)OCCCCCCCCC |