| SpectraBase Compound ID | 1LHR6ChYxFP |
|---|---|
| InChI | InChI=1S/C14H19ClO2/c1-8(2)11-7-12(15)10(5)6-13(11)17-14(16)9(3)4/h6-9H,1-5H3 |
| InChIKey | AQYCESBGMXWVSK-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 | HegZ4OATNAC |
|---|---|
| Name | Chlorothymol, 2-methylpropionate |
| 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/c1-8(2)11-7-12(15)10(5)6-13(11)17-14(16)9(3)4/h6-9H,1-5H3 |
| InChIKey | AQYCESBGMXWVSK-UHFFFAOYSA-N |
| Molecular Weight | 254.757 g/mol |
| SMILES | C(C)(C)C1=C(OC(C(C)C)=O)C=C(C(=C1)Cl)C |