| SpectraBase Compound ID | IcKa9ziMz3n |
|---|---|
| InChI | InChI=1S/C13H23NO2/c1-4-7-9-12(6-3)11-14-13(15)16-10-8-5-2/h2,12H,4,6-11H2,1,3H3,(H,14,15) |
| InChIKey | XUPTYRDWCNUOHZ-UHFFFAOYSA-N |
| Mol Weight | 225.33 g/mol |
| Molecular Formula | C13H23NO2 |
| Exact Mass | 225.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9N5rSaoCTj1 |
|---|---|
| Name | Carbonic acid, monoamide, N-2-ethylhexyl-, but-3-yn-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.172878983 u |
| Formula | C13H23NO2 |
| InChI | InChI=1S/C13H23NO2/c1-4-7-9-12(6-3)11-14-13(15)16-10-8-5-2/h2,12H,4,6-11H2,1,3H3,(H,14,15) |
| InChIKey | XUPTYRDWCNUOHZ-UHFFFAOYSA-N |
| Molecular Weight | 225.332 g/mol |
| SMILES | C(OCCC#C)(=O)NCC(CCCC)CC |