| SpectraBase Compound ID | JN963noftKX |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-4-5-6-7-8-9-10-14-24-20(22)18-12-11-13-19(15-18)21(23)25-16-17(2)3/h11-13,15H,2,4-10,14,16H2,1,3H3 |
| InChIKey | XEMFCKQLDTURHE-UHFFFAOYSA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Poix8fvmCN |
|---|---|
| Name | Isophthalic acid, 2-methylprop-2-en-1-yl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.214409442 u |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-4-5-6-7-8-9-10-14-24-20(22)18-12-11-13-19(15-18)21(23)25-16-17(2)3/h11-13,15H,2,4-10,14,16H2,1,3H3 |
| InChIKey | XEMFCKQLDTURHE-UHFFFAOYSA-N |
| Molecular Weight | 346.467 g/mol |
| SMILES | CCCCCCCCCOC(C=1C=C(C(OCC(C)=C)=O)C=CC1)=O |