| SpectraBase Compound ID | CVFaB5ARX42 |
|---|---|
| InChI | InChI=1S/C14H19ClO3/c1-5-6-17-14(16)18-13-7-10(4)12(15)8-11(13)9(2)3/h7-9H,5-6H2,1-4H3 |
| InChIKey | HVZVWJGMDFHFEI-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 | 6v7bW4GNyP9 |
|---|---|
| Name | Chlorothymol, o-(N-propyloxycarbonyl)- |
| 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/c1-5-6-17-14(16)18-13-7-10(4)12(15)8-11(13)9(2)3/h7-9H,5-6H2,1-4H3 |
| InChIKey | HVZVWJGMDFHFEI-UHFFFAOYSA-N |
| SMILES | C(C)(C)C1=C(OC(OCCC)=O)C=C(C(=C1)Cl)C |