| SpectraBase Compound ID | 4OVYQwhLxL6 |
|---|---|
| InChI | InChI=1S/C12H21Cl2NO4/c1-2-3-4-5-10(11(16)18-8-6-13)15-12(17)19-9-7-14/h10H,2-9H2,1H3,(H,15,17) |
| InChIKey | XPHAOCAHYQKWAG-UHFFFAOYSA-N |
| Mol Weight | 314.21 g/mol |
| Molecular Formula | C12H21Cl2NO4 |
| Exact Mass | 313.084764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 632jnkkBAIZ |
|---|---|
| Name | 2-Aminocaprylic acid, N-(2-chloroethoxycarbonyl)-, chloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.084763556 u |
| Formula | C12H21Cl2NO4 |
| InChI | InChI=1S/C12H21Cl2NO4/c1-2-3-4-5-10(11(16)18-8-6-13)15-12(17)19-9-7-14/h10H,2-9H2,1H3,(H,15,17) |
| InChIKey | XPHAOCAHYQKWAG-UHFFFAOYSA-N |
| Molecular Weight | 314.209 g/mol |
| SMILES | C(CCC(C(OCCCl)=O)NC(OCCCl)=O)CC |