| SpectraBase Compound ID | AXrodXpyKXM |
|---|---|
| InChI | InChI=1S/C19H29ClO3/c1-3-4-5-6-7-8-13-23-19(21)10-9-14-22-18-12-11-17(20)15-16(18)2/h11-12,15H,3-10,13-14H2,1-2H3 |
| InChIKey | WROBQVBWQOGTTQ-UHFFFAOYSA-N |
| Mol Weight | 340.89 g/mol |
| Molecular Formula | C19H29ClO3 |
| Exact Mass | 340.180522 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7d9jao3iimz |
|---|---|
| Name | 4-(4-Chloro-2-methylphenoxy)butyric acid, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.180522491 u |
| Formula | C19H29ClO3 |
| InChI | InChI=1S/C19H29ClO3/c1-3-4-5-6-7-8-13-23-19(21)10-9-14-22-18-12-11-17(20)15-16(18)2/h11-12,15H,3-10,13-14H2,1-2H3 |
| InChIKey | WROBQVBWQOGTTQ-UHFFFAOYSA-N |
| Molecular Weight | 340.891 g/mol |
| SMILES | C(CC(OCCCCCCCC)=O)COC=1C(C)=CC(=CC1)Cl |