| SpectraBase Compound ID | IcMMJote4kN |
|---|---|
| InChI | InChI=1S/C12H15ClO4/c1-6(2)17-12(15)10-7(3)11(13)9(16-4)5-8(10)14/h5-6,14H,1-4H3 |
| InChIKey | KJHOFASQYUCZPN-UHFFFAOYSA-N |
| Mol Weight | 258.7 g/mol |
| Molecular Formula | C12H15ClO4 |
| Exact Mass | 258.065887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KXb0Jk9fVdm |
|---|---|
| Name | Isopropyl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.065886659 u |
| Formula | C12H15ClO4 |
| InChI | InChI=1S/C12H15ClO4/c1-6(2)17-12(15)10-7(3)11(13)9(16-4)5-8(10)14/h5-6,14H,1-4H3 |
| InChIKey | KJHOFASQYUCZPN-UHFFFAOYSA-N |
| Molecular Weight | 258.701 g/mol |
| SMILES | C(C1=C(C(=C(C=C1O)OC)Cl)C)(=O)OC(C)C |