| SpectraBase Compound ID | Cjex9Gb1jHi |
|---|---|
| InChI | InChI=1S/C14H17ClO2/c1-2-3-5-12-6-8-13(9-7-12)14(16)17-11-4-10-15/h4,6-10H,2-3,5,11H2,1H3/b10-4+ |
| InChIKey | FDTZLBPFIUPWST-ONNFQVAWSA-N |
| Mol Weight | 252.74 g/mol |
| Molecular Formula | C14H17ClO2 |
| Exact Mass | 252.091707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I0FDPtjq8XJ |
|---|---|
| Name | 4-Butylbenzoic acid, 3-chloroprop-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.091707485 u |
| Formula | C14H17ClO2 |
| InChI | InChI=1S/C14H17ClO2/c1-2-3-5-12-6-8-13(9-7-12)14(16)17-11-4-10-15/h4,6-10H,2-3,5,11H2,1H3/b10-4+ |
| InChIKey | FDTZLBPFIUPWST-ONNFQVAWSA-N |
| Molecular Weight | 252.741 g/mol |
| SMILES | C(=O)(OC\C=C\Cl)C1=CC=C(CCCC)C=C1 |