| SpectraBase Compound ID | IC5z1TxtTQu |
|---|---|
| InChI | InChI=1S/C18H33NO4/c1-4-6-7-8-9-10-11-12-13-15-23-17(20)16(14-5-2)19-18(21)22-3/h5,16H,2,4,6-15H2,1,3H3,(H,19,21) |
| InChIKey | XTHQUEPSERYJIS-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 | HHkeFIIlfeE |
|---|---|
| Name | L-Allylglycine, N-methoxycarbonyl-, 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/c1-4-6-7-8-9-10-11-12-13-15-23-17(20)16(14-5-2)19-18(21)22-3/h5,16H,2,4,6-15H2,1,3H3,(H,19,21) |
| InChIKey | XTHQUEPSERYJIS-UHFFFAOYSA-N |
| Molecular Weight | 327.465 g/mol |
| SMILES | COC(NC(C(OCCCCCCCCCCC)=O)CC=C)=O |