| SpectraBase Compound ID | 19x6niC3190 |
|---|---|
| InChI | InChI=1S/C18H33NO4/c1-3-5-7-8-9-15-22-17(20)16-10-12-19(13-11-16)18(21)23-14-6-4-2/h16H,3-15H2,1-2H3 |
| InChIKey | CTGBRBNZIAAKMC-UHFFFAOYSA-N |
| Mol Weight | 327.5 g/mol |
| Molecular Formula | C18H33NO4 |
| Exact Mass | 327.240959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ZaXhMvwLVa |
|---|---|
| Name | Isonipecotic acid, N-butoxycarbonyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.240958543 u |
| Formula | C18H33NO4 |
| InChI | InChI=1S/C18H33NO4/c1-3-5-7-8-9-15-22-17(20)16-10-12-19(13-11-16)18(21)23-14-6-4-2/h16H,3-15H2,1-2H3 |
| InChIKey | CTGBRBNZIAAKMC-UHFFFAOYSA-N |
| Molecular Weight | 327.465 g/mol |
| SMILES | C1N(CCC(C1)C(OCCCCCCC)=O)C(OCCCC)=O |