SpectraBase Spectrum ID |
8vvNHlOVcYU |
Name |
1-Phenylpiperazine 2PFP |
Classification |
Chemical |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
454.073909262 u |
Formula |
C16H12F10N2O2 |
InChI |
InChI=1S/C16H12F10N2O2/c17-13(18,15(21,22)23)11(29)9-1-3-10(4-2-9)27-5-7-28(8-6-27)12(30)14(19,20)16(24,25)26/h1-4H,5-8H2 |
InChIKey |
KBJQKRLPVRUREY-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
454.268 g/mol |
Nominal Mass |
454 u |
Quality |
926 |
Retention Index |
2071 |
SMILES |
C(C(N1CCN(C2=CC=C(C(C(C(F)(F)F)(F)F)=O)C=C2)CC1)=O)(C(F)(F)F)(F)F |
SPLASH |
splash10-066r-9701000000-b8b8ff5ef7639960402f |
Sample Comments |
PFP position uncertain |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
2,2,3,3,3-pentafluoro-1-(4-(4-(2,2,3,3,3-pentafluoropropanoyl)phenyl)piperazin-1-yl)propan-1-one |
Technique |
GC/MS |
Wiley ID |
DD2024_010868 |