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Emtricitabine 2TFA
SpectraBase Compound ID LslXNzGvILO
InChI InChI=1S/C12H8F7N3O5S/c13-4-1-22(10(25)21-7(4)20-8(23)11(14,15)16)5-3-28-6(27-5)2-26-9(24)12(17,18)19/h1,5-6H,2-3H2,(H,20,21,23,25)
InChIKey JEKPTFDSCXEYQA-UHFFFAOYSA-N
Mol Weight 439.26 g/mol
Molecular Formula C12H8F7N3O5S
Exact Mass 439.007289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KYdovhl0d7
Name Emtricitabine 2TFA
Classification Virustatic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 439.007288680 u
Formula C12H8N3O5F7S
InChI InChI=1S/C12H8F7N3O5S/c13-4-1-22(10(25)21-7(4)20-8(23)11(14,15)16)5-3-28-6(27-5)2-26-9(24)12(17,18)19/h1,5-6H,2-3H2,(H,20,21,23,25)
InChIKey JEKPTFDSCXEYQA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 439.261 g/mol
SMILES C1(=O)N(C2OC(SC2)COC(C(F)(F)F)=O)C=C(F)C(NC(=O)C(F)(F)F)=N1
SPLASH splash10-0udi-5900000000-32ac83d33d0c16d40ad0
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_7487