| SpectraBase Compound ID | BcxtWNUw9Yn |
|---|---|
| InChI | InChI=1S/C18H14BrNO/c19-17-11-8-16(9-12-17)7-4-14-20-18(21)13-10-15-5-2-1-3-6-15/h1-3,5-6,8-13H,14H2,(H,20,21)/b13-10- |
| InChIKey | YSRRZQHKBXUMCY-RAXLEYEMSA-N |
| Mol Weight | 340.22 g/mol |
| Molecular Formula | C18H14BrNO |
| Exact Mass | 339.025877 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HHnHXGkLKGG |
|---|---|
| Name | N-(p-Bromophenylpropargyl)-cis-cinnamamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.025877074 u |
| Formula | C18H14BrNO |
| InChI | InChI=1S/C18H14BrNO/c19-17-11-8-16(9-12-17)7-4-14-20-18(21)13-10-15-5-2-1-3-6-15/h1-3,5-6,8-13H,14H2,(H,20,21)/b13-10- |
| InChIKey | YSRRZQHKBXUMCY-RAXLEYEMSA-N |
| Molecular Weight | 340.220 g/mol |
| SMILES | C(#CCNC(\C=C/C=1C=CC=CC1)=O)C1=CC=C(C=C1)Br |