| SpectraBase Compound ID | 11Euh94TO4B |
|---|---|
| InChI | InChI=1S/C20H38ClNO4/c1-4-5-6-7-8-9-10-11-12-13-16-25-19(23)18(2)22(3)20(24)26-17-14-15-21/h18H,4-17H2,1-3H3 |
| InChIKey | SUKRQIWGSOVGMY-UHFFFAOYSA-N |
| Mol Weight | 392.0 g/mol |
| Molecular Formula | C20H38ClNO4 |
| Exact Mass | 391.248936 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7NdpZhswN9o |
|---|---|
| Name | dl-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 391.248936404 u |
| Formula | C20H38ClNO4 |
| InChI | InChI=1S/C20H38ClNO4/c1-4-5-6-7-8-9-10-11-12-13-16-25-19(23)18(2)22(3)20(24)26-17-14-15-21/h18H,4-17H2,1-3H3 |
| InChIKey | SUKRQIWGSOVGMY-UHFFFAOYSA-N |
| Molecular Weight | 391.980 g/mol |
| SMILES | CC(N(C)C(=O)OCCCCl)C(=O)OCCCCCCCCCCCC |