| SpectraBase Compound ID | Aeg5MxeKafb |
|---|---|
| InChI | InChI=1S/C16H21NO2/c1-4-5-11-19-16(18)17(12-14(2)3)13-15-9-7-6-8-10-15/h6-10,14H,11-13H2,1-3H3 |
| InChIKey | RITZLCHWEBUOJJ-UHFFFAOYSA-N |
| Mol Weight | 259.35 g/mol |
| Molecular Formula | C16H21NO2 |
| Exact Mass | 259.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IrqLAiVJHHN |
|---|---|
| Name | Carbonic acid, monoamide, N-benzyl-N-isobutyl-, but-2-yn-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.157228918 u |
| Formula | C16H21NO2 |
| InChI | InChI=1S/C16H21NO2/c1-4-5-11-19-16(18)17(12-14(2)3)13-15-9-7-6-8-10-15/h6-10,14H,11-13H2,1-3H3 |
| InChIKey | RITZLCHWEBUOJJ-UHFFFAOYSA-N |
| Molecular Weight | 259.349 g/mol |
| SMILES | C(OC(=O)N(CC(C)C)CC1=CC=CC=C1)C#CC |