| SpectraBase Compound ID | 3UT1OxMeHv8 |
|---|---|
| InChI | InChI=1S/C19H37NO3/c1-3-5-7-8-9-10-11-13-17-23-19(22)15-16-20-18(21)14-12-6-4-2/h3-17H2,1-2H3,(H,20,21) |
| InChIKey | OBYFDWIWPUJARY-UHFFFAOYSA-N |
| Mol Weight | 327.5 g/mol |
| Molecular Formula | C19H37NO3 |
| Exact Mass | 327.277344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5kxIP567CWo |
|---|---|
| Name | .beta.-Alanine, N-caproyl-, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.277344052 u |
| Formula | C19H37NO3 |
| InChI | InChI=1S/C19H37NO3/c1-3-5-7-8-9-10-11-13-17-23-19(22)15-16-20-18(21)14-12-6-4-2/h3-17H2,1-2H3,(H,20,21) |
| InChIKey | OBYFDWIWPUJARY-UHFFFAOYSA-N |
| Molecular Weight | 327.509 g/mol |
| SMILES | CCCCCC(NCCC(OCCCCCCCCCC)=O)=O |