| SpectraBase Compound ID | 3cgTUHmgKDJ |
|---|---|
| InChI | InChI=1S/C18H34ClNO4/c1-5-6-7-8-9-10-13-23-17(21)16(15(2)3)20(4)18(22)24-14-11-12-19/h15-16H,5-14H2,1-4H3 |
| InChIKey | CFYJHAFIYPWJSD-UHFFFAOYSA-N |
| Mol Weight | 363.9 g/mol |
| Molecular Formula | C18H34ClNO4 |
| Exact Mass | 363.217636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L9wBLM4iHn5 |
|---|---|
| Name | dl-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.217636275 u |
| Formula | C18H34ClNO4 |
| InChI | InChI=1S/C18H34ClNO4/c1-5-6-7-8-9-10-13-23-17(21)16(15(2)3)20(4)18(22)24-14-11-12-19/h15-16H,5-14H2,1-4H3 |
| InChIKey | CFYJHAFIYPWJSD-UHFFFAOYSA-N |
| Molecular Weight | 363.926 g/mol |
| SMILES | C(C(C(OCCCCCCCC)=O)N(C)C(=O)OCCCCl)(C)C |