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Emtricitabine 2AC
SpectraBase Compound ID 2Gusialw2Dj
InChI InChI=1S/C12H14FN3O5S/c1-6(17)14-11-8(13)3-16(12(19)15-11)9-5-22-10(21-9)4-20-7(2)18/h3,9-10H,4-5H2,1-2H3,(H,14,15,17,19)
InChIKey LAGVOZAVPQUWPC-UHFFFAOYSA-N
Mol Weight 331.32 g/mol
Molecular Formula C12H14FN3O5S
Exact Mass 331.06382 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID om3nZAD2uI
Name Emtricitabine 2AC
Classification Virustatic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 331.063819895 u
Formula C12H14N3O5FS
InChI InChI=1S/C12H14FN3O5S/c1-6(17)14-11-8(13)3-16(12(19)15-11)9-5-22-10(21-9)4-20-7(2)18/h3,9-10H,4-5H2,1-2H3,(H,14,15,17,19)
InChIKey LAGVOZAVPQUWPC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 331.318 g/mol
SMILES C1(=O)N(C2OC(COC(C)=O)SC2)C=C(C(=N1)NC(C)=O)F
SPLASH splash10-0udi-5900000000-1df9b0dd15afa1a53588
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_7486