| SpectraBase Compound ID | I3PjeyJnsjp |
|---|---|
| InChI | InChI=1S/C14H20ClNO/c1-4-8-16(10-11(2)3)14(17)12-6-5-7-13(15)9-12/h5-7,9,11H,4,8,10H2,1-3H3 |
| InChIKey | LQPKFUXDEDSTMW-UHFFFAOYSA-N |
| Mol Weight | 253.77 g/mol |
| Molecular Formula | C14H20ClNO |
| Exact Mass | 253.123342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4VDYdvZefk1 |
|---|---|
| Name | Benzamide, 3-chloro-N-propyl-N-isobutyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.123341967 u |
| Formula | C14H20ClNO |
| InChI | InChI=1S/C14H20ClNO/c1-4-8-16(10-11(2)3)14(17)12-6-5-7-13(15)9-12/h5-7,9,11H,4,8,10H2,1-3H3 |
| InChIKey | LQPKFUXDEDSTMW-UHFFFAOYSA-N |
| Molecular Weight | 253.773 g/mol |
| SMILES | C(N(CCC)CC(C)C)(=O)C=1C=CC=C(Cl)C1 |