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Benzamide, N-(3-acetylphenyl)-2-(4-fluorobenzylthio)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Benzamide, N-(3-acetylphenyl)-2-(4-fluorobenzylthio)-
SpectraBase Compound ID 97pK7nionCE
InChI InChI=1S/C22H18FNO2S/c1-15(25)17-5-4-6-19(13-17)24-22(26)20-7-2-3-8-21(20)27-14-16-9-11-18(23)12-10-16/h2-13H,14H2,1H3,(H,24,26)
InChIKey WUTVGXODHTUEEU-UHFFFAOYSA-N
Mol Weight 379.45 g/mol
Molecular Formula C22H18FNO2S
Exact Mass 379.104228 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3DCYaoFonXX
Name Benzamide, N-(3-acetylphenyl)-2-(4-fluorobenzylthio)-
Comments Computed using HOSE algorithm
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Exact Mass 379.104228159 u
Formula C22H18FNO2S
InChI InChI=1S/C22H18FNO2S/c1-15(25)17-5-4-6-19(13-17)24-22(26)20-7-2-3-8-21(20)27-14-16-9-11-18(23)12-10-16/h2-13H,14H2,1H3,(H,24,26)
InChIKey WUTVGXODHTUEEU-UHFFFAOYSA-N
Molecular Weight 379.449 g/mol
SMILES C(C1=C(SCC=2C=CC(=CC2)F)C=CC=C1)(NC=1C=C(C(=O)C)C=CC1)=O