| SpectraBase Compound ID | 4AfXB4cBk7H |
|---|---|
| InChI | InChI=1S/C19H28O5/c1-3-4-5-8-15-23-18(20)9-6-7-10-19(21)24-17-13-11-16(22-2)12-14-17/h11-14H,3-10,15H2,1-2H3 |
| InChIKey | RUQLMSIKJRKMFM-UHFFFAOYSA-N |
| Mol Weight | 336.43 g/mol |
| Molecular Formula | C19H28O5 |
| Exact Mass | 336.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8E9l8uVSGno |
|---|---|
| Name | Adipic acid, hexyl 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.193673997 u |
| Formula | C19H28O5 |
| InChI | InChI=1S/C19H28O5/c1-3-4-5-8-15-23-18(20)9-6-7-10-19(21)24-17-13-11-16(22-2)12-14-17/h11-14H,3-10,15H2,1-2H3 |
| InChIKey | RUQLMSIKJRKMFM-UHFFFAOYSA-N |
| Molecular Weight | 336.428 g/mol |
| SMILES | C(CCCCC(=O)OC1=CC=C(OC)C=C1)(OCCCCCC)=O |