| SpectraBase Compound ID | 8XIBxUHv4dr |
|---|---|
| InChI | InChI=1S/C17H21NO2/c1-4-10-15(16(19)5-2)18(17(20)6-3)13-14-11-8-7-9-12-14/h4,6-9,11-12,15H,1,3,5,10,13H2,2H3/t15-/m0/s1 |
| InChIKey | IQDJTNYYAWWDMW-HNNXBMFYSA-N |
| Mol Weight | 271.36 g/mol |
| Molecular Formula | C17H21NO2 |
| Exact Mass | 271.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JU6cPUunh4F |
|---|---|
| Name | (S)-N-Benzyl-N-(5-oxohept-1-en-4-yl)acrylamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.157228918 u |
| Formula | C17H21NO2 |
| InChI | InChI=1S/C17H21NO2/c1-4-10-15(16(19)5-2)18(17(20)6-3)13-14-11-8-7-9-12-14/h4,6-9,11-12,15H,1,3,5,10,13H2,2H3/t15-/m0/s1 |
| InChIKey | IQDJTNYYAWWDMW-HNNXBMFYSA-N |
| Molecular Weight | 271.360 g/mol |
| SMILES | C(N([C@](C(=O)CC)(CC=C)[H])CC=1C=CC=CC1)(C=C)=O |