| SpectraBase Compound ID | 8Z62L0aVRXw |
|---|---|
| InChI | InChI=1S/C12H20ClNO3/c1-3-8-17-12(16)10-4-6-14(7-5-10)11(15)9(2)13/h9-10H,3-8H2,1-2H3 |
| InChIKey | CQVYXVWUUIPTKJ-UHFFFAOYSA-N |
| Mol Weight | 261.75 g/mol |
| Molecular Formula | C12H20ClNO3 |
| Exact Mass | 261.113171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6KLKN4CZNvr |
|---|---|
| Name | Isonipecotic acid, N-(2-chloropropionyl)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.113171205 u |
| Formula | C12H20ClNO3 |
| InChI | InChI=1S/C12H20ClNO3/c1-3-8-17-12(16)10-4-6-14(7-5-10)11(15)9(2)13/h9-10H,3-8H2,1-2H3 |
| InChIKey | CQVYXVWUUIPTKJ-UHFFFAOYSA-N |
| Molecular Weight | 261.749 g/mol |
| SMILES | CCCOC(C1CCN(C(=O)C(C)Cl)CC1)=O |