| SpectraBase Compound ID | KucxJtxRBmw |
|---|---|
| InChI | InChI=1S/C9H10ClNO2/c1-6(2)13-9(12)7-4-3-5-11-8(7)10/h3-6H,1-2H3 |
| InChIKey | KNKVAUDQVGHCSM-UHFFFAOYSA-N |
| Mol Weight | 199.64 g/mol |
| Molecular Formula | C9H10ClNO2 |
| Exact Mass | 199.040006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8EMuyA4mb8f |
|---|---|
| Name | Isopropyl 2-chloronicotinate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.040006264 u |
| Formula | C9H10ClNO2 |
| InChI | InChI=1S/C9H10ClNO2/c1-6(2)13-9(12)7-4-3-5-11-8(7)10/h3-6H,1-2H3 |
| InChIKey | KNKVAUDQVGHCSM-UHFFFAOYSA-N |
| Molecular Weight | 199.637 g/mol |
| SMILES | C(C1=C(N=CC=C1)Cl)(OC(C)C)=O |