| SpectraBase Compound ID | IC59DlcbTkb |
|---|---|
| InChI | InChI=1S/C22H32O4/c1-4-5-6-7-8-9-10-11-15-25-21(23)19-13-12-14-20(16-19)22(24)26-17-18(2)3/h12-14,16H,2,4-11,15,17H2,1,3H3 |
| InChIKey | NKTHWWCUCZANES-UHFFFAOYSA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C22H32O4 |
| Exact Mass | 360.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GFt5hLevxjT |
|---|---|
| Name | Isophthalic acid, decyl 2-methylprop-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.230059506 u |
| Formula | C22H32O4 |
| InChI | InChI=1S/C22H32O4/c1-4-5-6-7-8-9-10-11-15-25-21(23)19-13-12-14-20(16-19)22(24)26-17-18(2)3/h12-14,16H,2,4-11,15,17H2,1,3H3 |
| InChIKey | NKTHWWCUCZANES-UHFFFAOYSA-N |
| Molecular Weight | 360.494 g/mol |
| SMILES | CCCCCCCCCCOC(C=1C=C(C(OCC(C)=C)=O)C=CC1)=O |