| SpectraBase Compound ID | BUoDrkIZ3Y5 |
|---|---|
| InChI | InChI=1S/C16H19Cl2NO2/c1-19-10-5-6-11(19)8-12(7-10)21-16(20)9-13-14(17)3-2-4-15(13)18/h2-4,10-12H,5-9H2,1H3 |
| InChIKey | OODALPQAXNADNY-UHFFFAOYSA-N |
| Mol Weight | 328.24 g/mol |
| Molecular Formula | C16H19Cl2NO2 |
| Exact Mass | 327.079284 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JvhAK5xxD65 |
|---|---|
| Name | Tropine, 2,6-dichlorophenylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.079284254 u |
| Formula | C16H19Cl2NO2 |
| InChI | InChI=1S/C16H19Cl2NO2/c1-19-10-5-6-11(19)8-12(7-10)21-16(20)9-13-14(17)3-2-4-15(13)18/h2-4,10-12H,5-9H2,1H3 |
| InChIKey | OODALPQAXNADNY-UHFFFAOYSA-N |
| Molecular Weight | 328.239 g/mol |
| SMILES | C1(CC2N(C(C1)CC2)C)OC(=O)CC1=C(C=CC=C1Cl)Cl |