![6-[(Trichloroacetyl)amino]-2-aminohexanoic acid](/api/spectrum/KsMVbB5YNDH/structure.png?h=300&w=458 "6-[(Trichloroacetyl)amino]-2-aminohexanoic acid")
| SpectraBase Compound ID | IyfXTz3Mk7J |
|---|---|
| InChI | InChI=1S/C8H13Cl3N2O3/c9-8(10,11)7(16)13-4-2-1-3-5(12)6(14)15/h5H,1-4,12H2,(H,13,16)(H,14,15)/t5-/m0/s1 |
| InChIKey | DDALUBGGQCPWJA-YFKPBYRVSA-N |
| Mol Weight | 291.56 g/mol |
| Molecular Formula | C8H13Cl3N2O3 |
| Exact Mass | 289.999175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KsMVbB5YNDH |
|---|---|
| Name | 6-[(Trichloroacetyl)amino]-2-aminohexanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.999175384 u |
| Formula | C8H13Cl3N2O3 |
| InChI | InChI=1S/C8H13Cl3N2O3/c9-8(10,11)7(16)13-4-2-1-3-5(12)6(14)15/h5H,1-4,12H2,(H,13,16)(H,14,15)/t5-/m0/s1 |
| InChIKey | DDALUBGGQCPWJA-YFKPBYRVSA-N |
| SMILES | C(C(=O)NCCCC[C@@](C(=O)O)(N)[H])(Cl)(Cl)Cl |