| SpectraBase Compound ID | ENhl4lmCnxO |
|---|---|
| InChI | InChI=1S/C22H32O4/c1-3-5-7-8-9-10-12-17-26-22(24)20-15-13-14-19(18-20)21(23)25-16-11-6-4-2/h4,13-15,18H,2-3,5-12,16-17H2,1H3 |
| InChIKey | DMMDKPJDXGMHHN-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 | KIlm2Hy6zzY |
|---|---|
| Name | Isophthalic acid, nonyl pent-4-enyl 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/c1-3-5-7-8-9-10-12-17-26-22(24)20-15-13-14-19(18-20)21(23)25-16-11-6-4-2/h4,13-15,18H,2-3,5-12,16-17H2,1H3 |
| InChIKey | DMMDKPJDXGMHHN-UHFFFAOYSA-N |
| Molecular Weight | 360.494 g/mol |
| SMILES | C1=CC(=CC(=C1)C(=O)OCCCCCCCCC)C(OCCCC=C)=O |