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4-Fluoro-N-[3-(glycerylthio)-5-nitro-phenyl]benzamide
SpectraBase Compound ID 24pn2T9dZbH
InChI InChI=1S/C16H15FN2O5S/c17-11-3-1-10(2-4-11)16(22)18-12-5-13(19(23)24)7-15(6-12)25-9-14(21)8-20/h1-7,14,20-21H,8-9H2,(H,18,22)
InChIKey QCLHKJWRLYJLPS-UHFFFAOYSA-N
Mol Weight 366.36 g/mol
Molecular Formula C16H15FN2O5S
Exact Mass 366.068571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pkixul1iy0
Name 4-Fluoro-N-[3-(glycerylthio)-5-nitro-phenyl]benzamide
Alternate Name(s) N-[3-(2,3-dihydroxypropylthio)-5-nitrophenyl]-4-fluorobenzamide N-[3-[2,3-bis(oxidanyl)propylsulfanyl]-5-nitro-phenyl]-4-fluoranyl-benzamide N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-4-fluorobenzamide
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Formula C16H15FN2O5S
InChI InChI=1S/C16H15FN2O5S/c17-11-3-1-10(2-4-11)16(22)18-12-5-13(19(23)24)7-15(6-12)25-9-14(21)8-20/h1-7,14,20-21H,8-9H2,(H,18,22)
InChIKey QCLHKJWRLYJLPS-UHFFFAOYSA-N
Molecular Weight 366.363 g/mol
SMILES OCC(CSc1cc(N(=O)=O)cc(NC(c2ccc(cc2)F)=O)c1)O
SPLASH splash10-00di-1900000000-a2b64f56717de8143630
Wiley ID 1451836