| SpectraBase Compound ID | 7xmUibm54I8 |
|---|---|
| InChI | InChI=1S/C18H31NO4/c1-5-7-9-10-11-12-13-15-22-17(20)16(3)19(4)18(21)23-14-8-6-2/h16H,5,7,9-15H2,1-4H3 |
| InChIKey | DMQRVYWDBPVVPL-UHFFFAOYSA-N |
| Mol Weight | 325.45 g/mol |
| Molecular Formula | C18H31NO4 |
| Exact Mass | 325.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IBtfmMfr3fq |
|---|---|
| Name | dl-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.225308478 u |
| Formula | C18H31NO4 |
| InChI | InChI=1S/C18H31NO4/c1-5-7-9-10-11-12-13-15-22-17(20)16(3)19(4)18(21)23-14-8-6-2/h16H,5,7,9-15H2,1-4H3 |
| InChIKey | DMQRVYWDBPVVPL-UHFFFAOYSA-N |
| Molecular Weight | 325.449 g/mol |
| SMILES | CC(N(C)C(=O)OCC#CC)C(=O)OCCCCCCCCC |