| SpectraBase Compound ID | CSnMUpxzSqd |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-15(2)8-7-13-22-18(20)11-4-5-12-19(21)23-17-10-6-9-16(3)14-17/h6,9-10,14-15H,4-5,7-8,11-13H2,1-3H3 |
| InChIKey | YPYPLBLGRWUBGH-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5TKpx0SrFfn |
|---|---|
| Name | Adipic acid, isohexyl 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-15(2)8-7-13-22-18(20)11-4-5-12-19(21)23-17-10-6-9-16(3)14-17/h6,9-10,14-15H,4-5,7-8,11-13H2,1-3H3 |
| InChIKey | YPYPLBLGRWUBGH-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(C(=O)OC1=CC(=CC=C1)C)CCCC(OCCCC(C)C)=O |