| SpectraBase Compound ID | 65zFqYkG5XB |
|---|---|
| InChI | InChI=1S/C18H21NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)19(20)21/h13-16H,2-8H2,1H3 |
| InChIKey | BGSOOMMBDNTKFK-UHFFFAOYSA-N |
| Mol Weight | 283.37 g/mol |
| Molecular Formula | C18H21NO2 |
| Exact Mass | 283.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BPUyDMojbMS |
|---|---|
| Name | 1-(p-Nitrophenyl)-dodeca-1,3-diyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.157228918 u |
| Formula | C18H21NO2 |
| InChI | InChI=1S/C18H21NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)19(20)21/h13-16H,2-8H2,1H3 |
| InChIKey | BGSOOMMBDNTKFK-UHFFFAOYSA-N |
| SMILES | C(#CC#CCCCCCCCC)C=1C=CC(=CC1)N(=O)=O |