| SpectraBase Compound ID | 5NG0CO9yWhN |
|---|---|
| InChI | InChI=1S/C17H32ClNO4/c1-4-5-6-7-8-9-10-13-22-16(20)15(2)19(3)17(21)23-14-11-12-18/h15H,4-14H2,1-3H3 |
| InChIKey | QQHCVZHBRUVFAB-UHFFFAOYSA-N |
| Mol Weight | 349.9 g/mol |
| Molecular Formula | C17H32ClNO4 |
| Exact Mass | 349.201986 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KF8Cqx8KFA4 |
|---|---|
| Name | dl-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.201986210 u |
| Formula | C17H32ClNO4 |
| InChI | InChI=1S/C17H32ClNO4/c1-4-5-6-7-8-9-10-13-22-16(20)15(2)19(3)17(21)23-14-11-12-18/h15H,4-14H2,1-3H3 |
| InChIKey | QQHCVZHBRUVFAB-UHFFFAOYSA-N |
| Molecular Weight | 349.899 g/mol |
| SMILES | CC(N(C)C(=O)OCCCCl)C(=O)OCCCCCCCCC |