![1-N-[4-(Methoxycarbonylphenyl)amino]-5-chloropentanone](/api/spectrum/6svh3zRcAvc/structure.png?h=300&w=458 "1-N-[4-(Methoxycarbonylphenyl)amino]-5-chloropentanone")
| SpectraBase Compound ID | Dn6cFp2sAb3 |
|---|---|
| InChI | InChI=1S/C13H16ClNO3/c1-18-13(17)10-5-7-11(8-6-10)15-12(16)4-2-3-9-14/h5-8H,2-4,9H2,1H3,(H,15,16) |
| InChIKey | DODKGPPBPHRBIJ-UHFFFAOYSA-N |
| Mol Weight | 269.73 g/mol |
| Molecular Formula | C13H16ClNO3 |
| Exact Mass | 269.081871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6svh3zRcAvc |
|---|---|
| Name | 1-N-[4-(Methoxycarbonylphenyl)amino]-5-chloropentanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.081871076 u |
| Formula | C13H16ClNO3 |
| InChI | InChI=1S/C13H16ClNO3/c1-18-13(17)10-5-7-11(8-6-10)15-12(16)4-2-3-9-14/h5-8H,2-4,9H2,1H3,(H,15,16) |
| InChIKey | DODKGPPBPHRBIJ-UHFFFAOYSA-N |
| SMILES | C(C=1C=CC(NC(=O)CCCCCl)=CC1)(=O)OC |