| SpectraBase Spectrum ID |
L4i3Ia1sscV |
| Name |
Ecgonine, chlorodifluoroacetate, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.073592021 u |
| Formula |
C12H16ClF2NO4 |
| InChI |
InChI=1S/C12H16ClF2NO4/c1-16-6-3-4-7(16)9(10(17)19-2)8(5-6)20-11(18)12(13,14)15/h6-9H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1 |
| InChIKey |
XDJPAHGSDOELNZ-UYXSQOIJSA-N |
| Molecular Weight |
311.713 g/mol |
| SMILES |
[C@@]1([C@@]2(N([C@](C[C@@]1(OC(C(F)(F)Cl)=O)[H])(CC2)[H])C)[H])(C(OC)=O)[H] |
