| SpectraBase Compound ID | 7wh7FokSJeG |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-4-5-6-7-8-9-10-11-16-26-22(24)20-13-12-14-21(18-20)23(25)27-17-15-19(2)3/h12-14,18-19H,4-11,15-17H2,1-3H3 |
| InChIKey | NYMFSTKWRADONF-UHFFFAOYSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C23H36O4 |
| Exact Mass | 376.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3a0Urb5rj0g |
|---|---|
| Name | Isophthalic acid, decyl 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.261359635 u |
| Formula | C23H36O4 |
| InChI | InChI=1S/C23H36O4/c1-4-5-6-7-8-9-10-11-16-26-22(24)20-13-12-14-21(18-20)23(25)27-17-15-19(2)3/h12-14,18-19H,4-11,15-17H2,1-3H3 |
| InChIKey | NYMFSTKWRADONF-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | C1(=CC=CC(=C1)C(OCCC(C)C)=O)C(=O)OCCCCCCCCCC |