| SpectraBase Compound ID | 5semwBKmdOM |
|---|---|
| InChI | InChI=1S/C13H16ClF2NO4/c1-19-9-6-8(7-10(20-2)11(9)21-3)4-5-17-12(18)13(14,15)16/h6-7H,4-5H2,1-3H3,(H,17,18) |
| InChIKey | HHBLVJNJQPBJJM-UHFFFAOYSA-N |
| Mol Weight | 323.72 g/mol |
| Molecular Formula | C13H16ClF2NO4 |
| Exact Mass | 323.073592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 68n8XRv1R33 |
|---|---|
| Name | Mescaline, N-chlorodifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.073592021 u |
| Formula | C13H16ClF2NO4 |
| InChI | InChI=1S/C13H16ClF2NO4/c1-19-9-6-8(7-10(20-2)11(9)21-3)4-5-17-12(18)13(14,15)16/h6-7H,4-5H2,1-3H3,(H,17,18) |
| InChIKey | HHBLVJNJQPBJJM-UHFFFAOYSA-N |
| Molecular Weight | 323.724 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)CCNC(C(F)(F)Cl)=O)OC)OC |