| SpectraBase Compound ID | GzmExpHemcf |
|---|---|
| InChI | InChI=1S/C18H33NO3/c1-3-12-17(20)19-16-14-11-9-7-5-4-6-8-10-13-15(16)18(21)22-2/h15-16H,3-14H2,1-2H3,(H,19,20)/t15-,16+/m0/s1 |
| InChIKey | JWIGIMDHAKELOC-JKSUJKDBSA-N |
| Mol Weight | 311.5 g/mol |
| Molecular Formula | C18H33NO3 |
| Exact Mass | 311.246044 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9IGQf9u2nLV |
|---|---|
| Name | (1S,2R)-Methyl cis-2-(N-propylcarbonyl)aminocyclododecanecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.246043924 u |
| Formula | C18H33NO3 |
| InChI | InChI=1S/C18H33NO3/c1-3-12-17(20)19-16-14-11-9-7-5-4-6-8-10-13-15(16)18(21)22-2/h15-16H,3-14H2,1-2H3,(H,19,20)/t15-,16+/m0/s1 |
| InChIKey | JWIGIMDHAKELOC-JKSUJKDBSA-N |
| SMILES | [C@]1(C(=O)OC)([C@](NC(=O)CCC)(CCCCCCCCCC1)[H])[H] |