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N-(2,4-difluorophenyl)-2-{[1-(4-methoxyphenyl)-1H-tetraazol-5-yl]sulfanyl}acetamide
SpectraBase Compound ID 6cFThYhDGT3
InChI InChI=1S/C16H13F2N5O2S/c1-25-12-5-3-11(4-6-12)23-16(20-21-22-23)26-9-15(24)19-14-7-2-10(17)8-13(14)18/h2-8H,9H2,1H3,(H,19,24)
InChIKey DHZBKGZDAXXGTR-UHFFFAOYSA-N
Mol Weight 377.37 g/mol
Molecular Formula C16H13F2N5O2S
Exact Mass 377.075802 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JL5KifQkHwC
Name N-(2,4-Difluorophenyl)-2-{[1-(4-methoxyphenyl)-1H-tetraazol-5-yl]sulfanyl}acetamide
Comments Computed using HOSE algorithm
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Exact Mass 377.075802177 u
Formula C16H13F2N5O2S
InChI InChI=1S/C16H13F2N5O2S/c1-25-12-5-3-11(4-6-12)23-16(20-21-22-23)26-9-15(24)19-14-7-2-10(17)8-13(14)18/h2-8H,9H2,1H3,(H,19,24)
InChIKey DHZBKGZDAXXGTR-UHFFFAOYSA-N
Molecular Weight 377.370 g/mol
SMILES N(C(CSC=1N(N=NN1)C=1C=CC(=CC1)OC)=O)C=1C(=CC(=CC1)F)F