| SpectraBase Compound ID | 9I3LXCavnHP |
|---|---|
| InChI | InChI=1S/C13H17ClO3/c1-2-3-4-9-16-13(15)10-17-12-7-5-11(14)6-8-12/h5-8H,2-4,9-10H2,1H3 |
| InChIKey | JTQBAUWCCUBOAQ-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 | L1WIwFHPT2E |
|---|---|
| Name | Acetic acid, (4-chlorophenoxy)-, pentyl 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/c1-2-3-4-9-16-13(15)10-17-12-7-5-11(14)6-8-12/h5-8H,2-4,9-10H2,1H3 |
| InChIKey | JTQBAUWCCUBOAQ-UHFFFAOYSA-N |
| Molecular Weight | 256.729 g/mol |
| SMILES | C(C(OCCCCC)=O)OC1=CC=C(C=C1)Cl |