| SpectraBase Compound ID | Iq5gVPgkQ7i |
|---|---|
| InChI | InChI=1S/C17H31NO4/c1-6-8-9-10-12-21-15(19)14(11-7-2)18-16(20)22-13-17(3,4)5/h7,14H,2,6,8-13H2,1,3-5H3,(H,18,20) |
| InChIKey | KOFTVJNWUWMLIE-UHFFFAOYSA-N |
| Mol Weight | 313.44 g/mol |
| Molecular Formula | C17H31NO4 |
| Exact Mass | 313.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DdZsxC1D39x |
|---|---|
| Name | D-Allylglycine, N-neopentyloxycarbonyl-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.225308478 u |
| Formula | C17H31NO4 |
| InChI | InChI=1S/C17H31NO4/c1-6-8-9-10-12-21-15(19)14(11-7-2)18-16(20)22-13-17(3,4)5/h7,14H,2,6,8-13H2,1,3-5H3,(H,18,20) |
| InChIKey | KOFTVJNWUWMLIE-UHFFFAOYSA-N |
| Molecular Weight | 313.438 g/mol |
| SMILES | C(NC(OCC(C)(C)C)=O)(C(=O)OCCCCCC)CC=C |