| SpectraBase Compound ID | EP6k5iIjboa |
|---|---|
| InChI | InChI=1S/C12H15ClO2/c1-2-3-8-15-12(14)9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3 |
| InChIKey | RYVAYVLGDLRUIN-UHFFFAOYSA-N |
| Mol Weight | 226.7 g/mol |
| Molecular Formula | C12H15ClO2 |
| Exact Mass | 226.076057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FYAKarWuwHR |
|---|---|
| Name | Phenylacetic acid, 4-chloro-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.076057421 u |
| Formula | C12H15ClO2 |
| InChI | InChI=1S/C12H15ClO2/c1-2-3-8-15-12(14)9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3 |
| InChIKey | RYVAYVLGDLRUIN-UHFFFAOYSA-N |
| Molecular Weight | 226.703 g/mol |
| SMILES | C(OCCCC)(CC1=CC=C(C=C1)Cl)=O |