| SpectraBase Compound ID | LCjtj63Krqo |
|---|---|
| InChI | InChI=1S/C14H19ClO3/c1-8(2)11-7-12(15)10(5)6-13(11)18-14(16)17-9(3)4/h6-9H,1-5H3 |
| InChIKey | NWDJVAVBZRDVES-UHFFFAOYSA-N |
| Mol Weight | 270.76 g/mol |
| Molecular Formula | C14H19ClO3 |
| Exact Mass | 270.102272 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CD9aiUaW4LO |
|---|---|
| Name | Chlorothymol, o-isopropyloxycarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.102272169 u |
| Formula | C14H19ClO3 |
| InChI | InChI=1S/C14H19ClO3/c1-8(2)11-7-12(15)10(5)6-13(11)18-14(16)17-9(3)4/h6-9H,1-5H3 |
| InChIKey | NWDJVAVBZRDVES-UHFFFAOYSA-N |
| SMILES | C(C)(C)C1=C(OC(OC(C)C)=O)C=C(C(=C1)Cl)C |