| SpectraBase Compound ID | E6wZTDlrrBV |
|---|---|
| InChI | InChI=1S/C17H21Cl2NO3/c1-20-11-3-4-12(20)8-13(7-11)23-17(22)14(9-21)10-2-5-15(18)16(19)6-10/h2,5-6,11-14,21H,3-4,7-9H2,1H3 |
| InChIKey | UAPMDZFBNZZBEE-UHFFFAOYSA-N |
| Mol Weight | 358.27 g/mol |
| Molecular Formula | C17H21Cl2NO3 |
| Exact Mass | 357.089849 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BpQtkQqUGEX |
|---|---|
| Name | 3,4-Dichloroatropine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.089848937 u |
| Formula | C17H21Cl2NO3 |
| InChI | InChI=1S/C17H21Cl2NO3/c1-20-11-3-4-12(20)8-13(7-11)23-17(22)14(9-21)10-2-5-15(18)16(19)6-10/h2,5-6,11-14,21H,3-4,7-9H2,1H3 |
| InChIKey | UAPMDZFBNZZBEE-UHFFFAOYSA-N |
| Molecular Weight | 358.265 g/mol |
| SMILES | C1=C(C(=CC(=C1)C(CO)C(OC1CC2N(C(C1)CC2)C)=O)Cl)Cl |