| SpectraBase Compound ID | LoDxi0y1HrE |
|---|---|
| InChI | InChI=1S/C12H14ClNO3/c13-7-9-17-11(15)6-8-14-12(16)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,16) |
| InChIKey | OUVNEQBTUKSZGY-UHFFFAOYSA-N |
| Mol Weight | 255.7 g/mol |
| Molecular Formula | C12H14ClNO3 |
| Exact Mass | 255.066221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6i9T9tDH2P5 |
|---|---|
| Name | Propionic acid, 3-benzoylamino-, 2-chloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.066221012 u |
| Formula | C12H14ClNO3 |
| InChI | InChI=1S/C12H14ClNO3/c13-7-9-17-11(15)6-8-14-12(16)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,16) |
| InChIKey | OUVNEQBTUKSZGY-UHFFFAOYSA-N |
| Molecular Weight | 255.701 g/mol |
| SMILES | C(=O)(C=1C=CC=CC1)NCCC(=O)OCCCl |