| SpectraBase Compound ID | It7VGA7T1ad |
|---|---|
| InChI | InChI=1S/C7H12Cl3NO2/c1-3-4-11(2)6(12)13-5-7(8,9)10/h3-5H2,1-2H3 |
| InChIKey | PGDZQEUYYZQJER-UHFFFAOYSA-N |
| Mol Weight | 248.54 g/mol |
| Molecular Formula | C7H12Cl3NO2 |
| Exact Mass | 246.993362 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Wk2ghYnnJz |
|---|---|
| Name | Carbamic acid, N-methyl-N-propyl-, 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.993361728 u |
| Formula | C7H12Cl3NO2 |
| InChI | InChI=1S/C7H12Cl3NO2/c1-3-4-11(2)6(12)13-5-7(8,9)10/h3-5H2,1-2H3 |
| InChIKey | PGDZQEUYYZQJER-UHFFFAOYSA-N |
| Molecular Weight | 248.537 g/mol |
| SMILES | C(OCC(Cl)(Cl)Cl)(=O)N(C)CCC |