| SpectraBase Compound ID | JCsj4RoQ0ok |
|---|---|
| InChI | InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-8-6-4-5-7-9-13/h5,7-10,13H2,1-3H3,(H,14,15) |
| InChIKey | CBLCEHQKDBMARS-UHFFFAOYSA-N |
| Mol Weight | 226.32 g/mol |
| Molecular Formula | C12H22N2O2 |
| Exact Mass | 226.168128 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1UYQJE5Zt60 |
|---|---|
| Name | Carbamic acid, N-(7-aminohept-ynyl)-, tert-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.168127954 u |
| Formula | C12H22N2O2 |
| InChI | InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-8-6-4-5-7-9-13/h5,7-10,13H2,1-3H3,(H,14,15) |
| InChIKey | CBLCEHQKDBMARS-UHFFFAOYSA-N |
| Molecular Weight | 226.320 g/mol |
| SMILES | CC(OC(=O)NCCC#CCCCN)(C)C |