| SpectraBase Compound ID | 3VDE6pCkWpd |
|---|---|
| InChI | InChI=1S/C18H27ClO3/c1-3-4-5-6-7-12-22-18(20)9-8-13-21-17-11-10-16(19)14-15(17)2/h10-11,14H,3-9,12-13H2,1-2H3 |
| InChIKey | ACRHGCFXTOOYHZ-UHFFFAOYSA-N |
| Mol Weight | 326.86 g/mol |
| Molecular Formula | C18H27ClO3 |
| Exact Mass | 326.164872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 78AXmNQomqu |
|---|---|
| Name | 4-(4-Chloro-2-methylphenoxy)butyric acid, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.164872426 u |
| Formula | C18H27ClO3 |
| InChI | InChI=1S/C18H27ClO3/c1-3-4-5-6-7-12-22-18(20)9-8-13-21-17-11-10-16(19)14-15(17)2/h10-11,14H,3-9,12-13H2,1-2H3 |
| InChIKey | ACRHGCFXTOOYHZ-UHFFFAOYSA-N |
| Molecular Weight | 326.864 g/mol |
| SMILES | C(CC(OCCCCCCC)=O)COC=1C(C)=CC(=CC1)Cl |