| SpectraBase Compound ID | E2SCiM4pwm2 |
|---|---|
| InChI | InChI=1S/C18H33NO4/c1-3-5-6-7-8-9-10-11-12-16-22-17(20)13-14-19-18(21)23-15-4-2/h4H,2-3,5-16H2,1H3,(H,19,21) |
| InChIKey | PGGHNNHJJKVVET-UHFFFAOYSA-N |
| Mol Weight | 327.5 g/mol |
| Molecular Formula | C18H33NO4 |
| Exact Mass | 327.240959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7GbXoEGTNmo |
|---|---|
| Name | .beta.-Alanine, N-allyloxycarbonyl-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.240958543 u |
| Formula | C18H33NO4 |
| InChI | InChI=1S/C18H33NO4/c1-3-5-6-7-8-9-10-11-12-16-22-17(20)13-14-19-18(21)23-15-4-2/h4H,2-3,5-16H2,1H3,(H,19,21) |
| InChIKey | PGGHNNHJJKVVET-UHFFFAOYSA-N |
| Molecular Weight | 327.465 g/mol |
| SMILES | C=CCOC(NCCC(OCCCCCCCCCCC)=O)=O |