SpectraBase Spectrum ID |
GYmevXBWwka |
Name |
Paracetamol 2TFA |
Classification |
Pharmaceutical drug derivative |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
343.027926683 u |
Formula |
C12H7F6NO4 |
InChI |
InChI=1S/C12H7F6NO4/c1-6(20)19(9(21)11(13,14)15)7-2-4-8(5-3-7)23-10(22)12(16,17)18/h2-5H,1H3 |
InChIKey |
DEPPWJVMLMVMDO-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
343.181 g/mol |
Nominal Mass |
343 u |
Quality |
996 |
Retention Index |
2454 |
SMILES |
C=1(N(C(C(F)(F)F)=O)C(=O)C)C=CC(OC(C(F)(F)F)=O)=CC1 |
SPLASH |
splash10-0f6x-9223000000-e83c9ce0e4b9b506d566 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
4-(acetyl(trifluoroacetyl)amino)phenyl trifluoroacetate |
Technique |
GC/MS |
Wiley ID |
DD2024_034749 |