| SpectraBase Compound ID | 5H6ROepRNFp |
|---|---|
| InChI | InChI=1S/C16H27NO4/c1-3-5-6-7-8-9-10-14-20-15(18)11-12-17-16(19)21-13-4-2/h2H,3,5-14H2,1H3,(H,17,19) |
| InChIKey | JVTOKMOPRVQFFH-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 | 7P1dKL41KAm |
|---|---|
| Name | .beta.-Alanine, N-propargyloxycarbonyl-, nonyl ester |
| 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/c1-3-5-6-7-8-9-10-14-20-15(18)11-12-17-16(19)21-13-4-2/h2H,3,5-14H2,1H3,(H,17,19) |
| InChIKey | JVTOKMOPRVQFFH-UHFFFAOYSA-N |
| Molecular Weight | 297.395 g/mol |
| SMILES | C#CCOC(NCCC(OCCCCCCCCC)=O)=O |