| SpectraBase Compound ID | IaXYnTR4tUT |
|---|---|
| InChI | InChI=1S/C20H31ClO3/c1-3-4-5-6-7-8-9-10-11-14-23-20(22)16-24-19-13-12-18(21)15-17(19)2/h12-13,15H,3-11,14,16H2,1-2H3 |
| InChIKey | JYRWJKWRXPXOAR-UHFFFAOYSA-N |
| Mol Weight | 354.92 g/mol |
| Molecular Formula | C20H31ClO3 |
| Exact Mass | 354.196173 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5GzkDlIzyZN |
|---|---|
| Name | Acetic acid, (4-chloro-2-methylphenoxy)-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.196172555 u |
| Formula | C20H31ClO3 |
| InChI | InChI=1S/C20H31ClO3/c1-3-4-5-6-7-8-9-10-11-14-23-20(22)16-24-19-13-12-18(21)15-17(19)2/h12-13,15H,3-11,14,16H2,1-2H3 |
| InChIKey | JYRWJKWRXPXOAR-UHFFFAOYSA-N |
| Molecular Weight | 354.918 g/mol |
| SMILES | C(C(=O)OCCCCCCCCCCC)OC=1C=CC(=CC1C)Cl |