| SpectraBase Compound ID | 7SmqMtmYlCj |
|---|---|
| InChI | InChI=1S/C19H27NO2/c1-4-6-9-12-17(3)20(19(21)22-15-7-5-2)16-18-13-10-8-11-14-18/h2,8,10-11,13-14,17H,4,6-7,9,12,15-16H2,1,3H3 |
| InChIKey | NZWNWKXTKRHSSF-UHFFFAOYSA-N |
| Mol Weight | 301.43 g/mol |
| Molecular Formula | C19H27NO2 |
| Exact Mass | 301.204179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AcI9HoQFRY7 |
|---|---|
| Name | Carbonic acid, monoamide, N-benzyl-N-(hept-2-yl)-, but-3-yn-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.204179111 u |
| Formula | C19H27NO2 |
| InChI | InChI=1S/C19H27NO2/c1-4-6-9-12-17(3)20(19(21)22-15-7-5-2)16-18-13-10-8-11-14-18/h2,8,10-11,13-14,17H,4,6-7,9,12,15-16H2,1,3H3 |
| InChIKey | NZWNWKXTKRHSSF-UHFFFAOYSA-N |
| SMILES | C(N(C(CCCCC)C)CC1=CC=CC=C1)(=O)OCCC#C |