| SpectraBase Compound ID | 2vJuQmqGCFB |
|---|---|
| InChI | InChI=1S/C13H17ClO3/c1-3-4-7-16-13(15)9-17-12-6-5-11(14)8-10(12)2/h5-6,8H,3-4,7,9H2,1-2H3 |
| InChIKey | PKRRSPSPRIGHQE-UHFFFAOYSA-N |
| Mol Weight | 256.73 g/mol |
| Molecular Formula | C13H17ClO3 |
| Exact Mass | 256.086622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K2imQx00icQ |
|---|---|
| Name | Acetic acid, (4-chloro-2-methylphenoxy)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.086622104 u |
| Formula | C13H17ClO3 |
| InChI | InChI=1S/C13H17ClO3/c1-3-4-7-16-13(15)9-17-12-6-5-11(14)8-10(12)2/h5-6,8H,3-4,7,9H2,1-2H3 |
| InChIKey | PKRRSPSPRIGHQE-UHFFFAOYSA-N |
| Molecular Weight | 256.729 g/mol |
| SMILES | C(C(=O)OCCCC)OC=1C=CC(=CC1C)Cl |