| SpectraBase Compound ID | AM8uZtUdEWA |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-4-5-6-7-8-9-10-11-15-24-20(22)18-13-12-14-19(16-18)21(23)25-17(2)3/h12-14,16-17H,4-11,15H2,1-3H3 |
| InChIKey | MRAVYBOGFREQLH-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5x6TbiqwY4t |
|---|---|
| Name | Isophthalic acid, decyl isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-4-5-6-7-8-9-10-11-15-24-20(22)18-13-12-14-19(16-18)21(23)25-17(2)3/h12-14,16-17H,4-11,15H2,1-3H3 |
| InChIKey | MRAVYBOGFREQLH-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C(OC(C1=CC(C(OCCCCCCCCCC)=O)=CC=C1)=O)(C)C |