| SpectraBase Spectrum ID |
2p3nZRWCpyi |
| Name |
1-(3,4-Dimethylphenyl)piperazine 2TFA |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
382.111596739 u |
| Formula |
C16H16F6N2O2 |
| InChI |
InChI=1S/C16H16F6N2O2/c1-9-7-11(13(25)15(17,18)19)12(8-10(9)2)23-3-5-24(6-4-23)14(26)16(20,21)22/h7-8H,3-6H2,1-2H3 |
| InChIKey |
IAQSSRZSGPGVJQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
382.306 g/mol |
| Nominal Mass |
382 u |
| Quality |
980 |
| Retention Index |
1911 |
| SMILES |
C=1(C(C(C(F)(F)F)=O)=CC(=C(C1)C)C)N1CCN(C(C(F)(F)F)=O)CC1 |
| SPLASH |
splash10-0c09-6931000000-9db30c1ffa9b28175ed1 |
| Sample Comments |
TFA position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(4-(4,5-dimethyl-2-(trifluoroacetyl)phenyl)piperazin-1-yl)-2,2,2-trifluoroethan-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010838 |
