| SpectraBase Compound ID | WBVAXSU2go |
|---|---|
| InChI | InChI=1S/C18H35NO5/c1-5-6-7-8-11-16(19-18(21)24-14-13-22-4)17(20)23-12-9-10-15(2)3/h15-16H,5-14H2,1-4H3,(H,19,21) |
| InChIKey | OPLJRVYAFUZSMF-UHFFFAOYSA-N |
| Mol Weight | 345.5 g/mol |
| Molecular Formula | C18H35NO5 |
| Exact Mass | 345.251523 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 73S4bAcNzrd |
|---|---|
| Name | 2-Aminocaprylic acid, N-(2-methoxyethylcarbonyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.251523226 u |
| Formula | C18H35NO5 |
| InChI | InChI=1S/C18H35NO5/c1-5-6-7-8-11-16(19-18(21)24-14-13-22-4)17(20)23-12-9-10-15(2)3/h15-16H,5-14H2,1-4H3,(H,19,21) |
| InChIKey | OPLJRVYAFUZSMF-UHFFFAOYSA-N |
| Molecular Weight | 345.480 g/mol |
| SMILES | COCCOC(NC(C(OCCCC(C)C)=O)CCCCCC)=O |