| SpectraBase Compound ID | D3RF47K0zxu |
|---|---|
| InChI | InChI=1S/C19H36ClNO3/c1-4-5-6-7-8-9-12-15-24-19(23)18(16(2)3)21-17(22)13-10-11-14-20/h16,18H,4-15H2,1-3H3,(H,21,22) |
| InChIKey | PHYKVLYJPOAMRG-UHFFFAOYSA-N |
| Mol Weight | 362.0 g/mol |
| Molecular Formula | C19H36ClNO3 |
| Exact Mass | 361.238372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2yfIvfiZGrq |
|---|---|
| Name | L-Valine, N-(5-chlorovaleryl)-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.238371720 u |
| Formula | C19H36ClNO3 |
| InChI | InChI=1S/C19H36ClNO3/c1-4-5-6-7-8-9-12-15-24-19(23)18(16(2)3)21-17(22)13-10-11-14-20/h16,18H,4-15H2,1-3H3,(H,21,22) |
| InChIKey | PHYKVLYJPOAMRG-UHFFFAOYSA-N |
| Molecular Weight | 361.954 g/mol |
| SMILES | C(CCCC(NC(C(C)C)C(=O)OCCCCCCCCC)=O)Cl |