| SpectraBase Compound ID | LaWAhS1X9Pb |
|---|---|
| InChI | InChI=1S/C17H32ClNO4/c1-5-6-7-8-9-12-22-16(20)15(14(2)3)19(4)17(21)23-13-10-11-18/h14-15H,5-13H2,1-4H3 |
| InChIKey | NWNYWUFEVKXSFB-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 | LexFyd8GWeA |
|---|---|
| Name | dl-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, heptyl 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/c1-5-6-7-8-9-12-22-16(20)15(14(2)3)19(4)17(21)23-13-10-11-18/h14-15H,5-13H2,1-4H3 |
| InChIKey | NWNYWUFEVKXSFB-UHFFFAOYSA-N |
| Molecular Weight | 349.899 g/mol |
| SMILES | C(C(C(OCCCCCCC)=O)N(C)C(=O)OCCCCl)(C)C |