| SpectraBase Compound ID | 6DbsdhXXGNN |
|---|---|
| InChI | InChI=1S/C16H27NO4/c18-14-10-13-16(17(20)21)12-9-7-5-3-1-2-4-6-8-11-15(16)19/h14H,1-13H2 |
| InChIKey | YKZCQFBBFQXMKR-UHFFFAOYSA-N |
| Mol Weight | 297.4 g/mol |
| Molecular Formula | C16H27NO4 |
| Exact Mass | 297.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D2ECbUz4rLl |
|---|---|
| Name | Cyclotridecanepropanal, 1-nitro-2-oxo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.194008349 u |
| Formula | C16H27NO4 |
| InChI | InChI=1S/C16H27NO4/c18-14-10-13-16(17(20)21)12-9-7-5-3-1-2-4-6-8-11-15(16)19/h14H,1-13H2 |
| InChIKey | YKZCQFBBFQXMKR-UHFFFAOYSA-N |
| Molecular Weight | 297.395 g/mol |
| SMILES | C1(N(=O)=O)(C(=O)CCCCCCCCCCC1)CCC=O |