| SpectraBase Compound ID | J2RNcjnI7rw |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-4-5-6-7-8-9-10-14-23-19(21)17-12-11-13-18(15-17)20(22)24-16(2)3/h11-13,15-16H,4-10,14H2,1-3H3 |
| InChIKey | FNERBDRGHWABMZ-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GyIHI4oknUl |
|---|---|
| Name | Isophthalic acid, isopropyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-4-5-6-7-8-9-10-14-23-19(21)17-12-11-13-18(15-17)20(22)24-16(2)3/h11-13,15-16H,4-10,14H2,1-3H3 |
| InChIKey | FNERBDRGHWABMZ-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(OC(C1=CC(C(OCCCCCCCCC)=O)=CC=C1)=O)(C)C |