| SpectraBase Compound ID | 9RnFO1eCJsc |
|---|---|
| InChI | InChI=1S/C19H35NO4/c1-4-7-9-11-13-16-23-18(21)17(14-12-10-8-5-2)20-19(22)24-15-6-3/h6,17H,3-5,7-16H2,1-2H3,(H,20,22) |
| InChIKey | OABYHWOUQNTPFT-UHFFFAOYSA-N |
| Mol Weight | 341.5 g/mol |
| Molecular Formula | C19H35NO4 |
| Exact Mass | 341.256609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F7Ip9wOp2ar |
|---|---|
| Name | 2-Aminocaprylic acid, N-allyloxycarbonyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.256608607 u |
| Formula | C19H35NO4 |
| InChI | InChI=1S/C19H35NO4/c1-4-7-9-11-13-16-23-18(21)17(14-12-10-8-5-2)20-19(22)24-15-6-3/h6,17H,3-5,7-16H2,1-2H3,(H,20,22) |
| InChIKey | OABYHWOUQNTPFT-UHFFFAOYSA-N |
| Molecular Weight | 341.492 g/mol |
| SMILES | C(C(NC(OCC=C)=O)C(=O)OCCCCCCC)CCCCC |