| SpectraBase Compound ID | fX3WprHszb |
|---|---|
| InChI | InChI=1S/C16H13N3O2/c20-15(13-10-18-14-4-2-1-3-12(13)14)16(21)19-9-11-5-7-17-8-6-11/h1-8,10,18H,9H2,(H,19,21) |
| InChIKey | QAINWRUZZWOIOA-UHFFFAOYSA-N |
| Mol Weight | 279.3 g/mol |
| Molecular Formula | C16H13N3O2 |
| Exact Mass | 279.100777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9nzrRWRXr6N |
|---|---|
| Name | 1H-Indole-3-acetamide, .alpha.-oxo-N-(4-pyridinylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.100776669 u |
| Formula | C16H13N3O2 |
| InChI | InChI=1S/C16H13N3O2/c20-15(13-10-18-14-4-2-1-3-12(13)14)16(21)19-9-11-5-7-17-8-6-11/h1-8,10,18H,9H2,(H,19,21) |
| InChIKey | QAINWRUZZWOIOA-UHFFFAOYSA-N |
| SMILES | C1(C(C(NCC=2C=CN=CC2)=O)=O)=CNC=2C1=CC=CC2 |