| SpectraBase Compound ID | 6hZf3ezhcaw |
|---|---|
| InChI | InChI=1S/C11H18ClNO3/c1-3-16-11(15)9-4-6-13(7-5-9)10(14)8(2)12/h8-9H,3-7H2,1-2H3 |
| InChIKey | AVZSMRMIZSTDGN-UHFFFAOYSA-N |
| Mol Weight | 247.72 g/mol |
| Molecular Formula | C11H18ClNO3 |
| Exact Mass | 247.097521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CmUr5wYfIdA |
|---|---|
| Name | Isonipecotic acid, N-(2-chloropropionyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.097521141 u |
| Formula | C11H18ClNO3 |
| InChI | InChI=1S/C11H18ClNO3/c1-3-16-11(15)9-4-6-13(7-5-9)10(14)8(2)12/h8-9H,3-7H2,1-2H3 |
| InChIKey | AVZSMRMIZSTDGN-UHFFFAOYSA-N |
| Molecular Weight | 247.722 g/mol |
| SMILES | CC(C(N1CCC(C(OCC)=O)CC1)=O)Cl |