| SpectraBase Compound ID | KokdCGRZ7w4 |
|---|---|
| InChI | InChI=1S/C18H25NO2/c1-3-5-7-11-14-19(18(20)21-15-6-4-2)16-17-12-9-8-10-13-17/h2,8-10,12-13H,3,5-7,11,14-16H2,1H3 |
| InChIKey | VSCZCWNMHPABHR-UHFFFAOYSA-N |
| Mol Weight | 287.4 g/mol |
| Molecular Formula | C18H25NO2 |
| Exact Mass | 287.188529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | zsjqdAhF9x |
|---|---|
| Name | Carbonic acid, monoamide, N-benzyl-N-hexyl-, but-3-yn-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.188529047 u |
| Formula | C18H25NO2 |
| InChI | InChI=1S/C18H25NO2/c1-3-5-7-11-14-19(18(20)21-15-6-4-2)16-17-12-9-8-10-13-17/h2,8-10,12-13H,3,5-7,11,14-16H2,1H3 |
| InChIKey | VSCZCWNMHPABHR-UHFFFAOYSA-N |
| Molecular Weight | 287.403 g/mol |
| SMILES | C(N(CCCCCC)CC1=CC=CC=C1)(=O)OCCC#C |