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Dapsone 2HFB
SpectraBase Compound ID DFjLOMfdBcY
InChI InChI=1S/C20H10F14N2O4S/c21-15(22,17(25,26)19(29,30)31)13(37)35-9-1-5-11(6-2-9)41(39,40)12-7-3-10(4-8-12)36-14(38)16(23,24)18(27,28)20(32,33)34/h1-8H,(H,35,37)(H,36,38)
InChIKey RYOWAQVSPMDAIO-UHFFFAOYSA-N
Mol Weight 640.35 g/mol
Molecular Formula C20H10F14N2O4S
Exact Mass 640.013772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVuoi3JdNJm
Name Dapsone 2HFB
Classification Antibiotic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 640.013772262 u
Formula C20H10N2F14O4S
InChI InChI=1S/C20H10F14N2O4S/c21-15(22,17(25,26)19(29,30)31)13(37)35-9-1-5-11(6-2-9)41(39,40)12-7-3-10(4-8-12)36-14(38)16(23,24)18(27,28)20(32,33)34/h1-8H,(H,35,37)(H,36,38)
InChIKey RYOWAQVSPMDAIO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 640.348 g/mol
SMILES c1cc(S(=O)(c2ccc(cc2)NC(C(F)(F)C(F)(F)C(F)(F)F)=O)=O)ccc1NC(C(F)(F)C(F)(F)C(F)(F)F)=O
SPLASH splash10-014u-4915001000-7e396e6da74afe1e5877
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_6563