![2-[2-(4-Chlorophenyl)ethyl]pentanoic acid methyl ester](/api/spectrum/DsTLzbt7vpa/structure.png?h=300&w=458 "2-[2-(4-Chlorophenyl)ethyl]pentanoic acid methyl ester")
| SpectraBase Compound ID | 2Ryr8Sp5Lqi |
|---|---|
| InChI | InChI=1S/C14H19ClO2/c1-3-4-12(14(16)17-2)8-5-11-6-9-13(15)10-7-11/h6-7,9-10,12H,3-5,8H2,1-2H3 |
| InChIKey | ZAESAMFHIDRVTD-UHFFFAOYSA-N |
| Mol Weight | 254.76 g/mol |
| Molecular Formula | C14H19ClO2 |
| Exact Mass | 254.107358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DsTLzbt7vpa |
|---|---|
| Name | 2-[2-(4-Chlorophenyl)ethyl]pentanoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.107357550 u |
| Formula | C14H19ClO2 |
| InChI | InChI=1S/C14H19ClO2/c1-3-4-12(14(16)17-2)8-5-11-6-9-13(15)10-7-11/h6-7,9-10,12H,3-5,8H2,1-2H3 |
| InChIKey | ZAESAMFHIDRVTD-UHFFFAOYSA-N |
| Molecular Weight | 254.757 g/mol |
| SMILES | C(=O)(C(CCC1=CC=C(C=C1)Cl)CCC)OC |