![N-{3-[(2-chloroacetyl)amino]phenyl}-1-adamantanecarboxamide](/api/spectrum/34eBv1sQHWX/structure.png?h=300&w=458 "N-{3-[(2-chloroacetyl)amino]phenyl}-1-adamantanecarboxamide")
| SpectraBase Compound ID | 8p2lysK52my |
|---|---|
| InChI | InChI=1S/C19H23ClN2O2/c20-11-17(23)21-15-2-1-3-16(7-15)22-18(24)19-8-12-4-13(9-19)6-14(5-12)10-19/h1-3,7,12-14H,4-6,8-11H2,(H,21,23)(H,22,24)/t12-,13+,14-,19- |
| InChIKey | IGEKHEREEGDNMH-KRFSREQESA-N |
| Mol Weight | 346.86 g/mol |
| Molecular Formula | C19H23ClN2O2 |
| Exact Mass | 346.144806 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 34eBv1sQHWX |
|---|---|
| Name | N-{3-[(2-Chloroacetyl)amino]phenyl}-1-adamantanecarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.144805687 u |
| Formula | C19H23ClN2O2 |
| InChI | InChI=1S/C19H23ClN2O2/c20-11-17(23)21-15-2-1-3-16(7-15)22-18(24)19-8-12-4-13(9-19)6-14(5-12)10-19/h1-3,7,12-14H,4-6,8-11H2,(H,21,23)(H,22,24)/t12-,13+,14-,19- |
| InChIKey | IGEKHEREEGDNMH-KRFSREQESA-N |
| Molecular Weight | 346.858 g/mol |
| SMILES | N(C(=O)C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])C1=CC(NC(=O)CCl)=CC=C1 |