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4-Ethyl-5-[(4-fluorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol, tms

View entire compound with spectra: 1 NMR

4-Ethyl-5-[(4-fluorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol, tms
SpectraBase Compound ID 5CKPGxUQWUT
InChI InChI=1S/C14H20FN3OSSi/c1-5-18-13(16-17-14(18)20-21(2,3)4)10-19-12-8-6-11(15)7-9-12/h6-9H,5,10H2,1-4H3
InChIKey LFHQGPRKQCQPDL-UHFFFAOYSA-N
Mol Weight 325.48 g/mol
Molecular Formula C14H20FN3OSSi
Exact Mass 325.108038 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID WOKHyET974
Name 4-Ethyl-5-[(4-fluorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol, tms
Comments Computed using HOSE algorithm
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Exact Mass 325.108038147 u
Formula C14H20FN3OSSi
InChI InChI=1S/C14H20FN3OSSi/c1-5-18-13(16-17-14(18)20-21(2,3)4)10-19-12-8-6-11(15)7-9-12/h6-9H,5,10H2,1-4H3
InChIKey LFHQGPRKQCQPDL-UHFFFAOYSA-N
Molecular Weight 325.477 g/mol
SMILES C(OC1=CC=C(C=C1)F)C=1N(CC)C(S[Si](C)(C)C)=NN1