| SpectraBase Spectrum ID |
5FJT5peo8pc |
| Name |
(.+/-.)-mdma, N-chlorodifluoroacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.063027338 u |
| Formula |
C13H14ClF2NO3 |
| InChI |
InChI=1S/C13H14ClF2NO3/c1-8(17(2)12(18)13(14,15)16)5-9-3-4-10-11(6-9)20-7-19-10/h3-4,6,8H,5,7H2,1-2H3 |
| InChIKey |
UAKMOVAWLADHCS-UHFFFAOYSA-N |
| Molecular Weight |
305.709 g/mol |
| SMILES |
C12=C(C=CC(=C2)CC(N(C)C(C(F)(F)Cl)=O)C)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853476 |
