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3-(4-Phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-propanol, 2tms derivative

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3-(4-Phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-propanol, 2tms derivative
SpectraBase Compound ID KPEw7Anunbn
InChI InChI=1S/C17H29N3OSSi2/c1-23(2,3)21-14-10-13-16-18-19-17(22-24(4,5)6)20(16)15-11-8-7-9-12-15/h7-9,11-12H,10,13-14H2,1-6H3
InChIKey BRMDSMLPUQUXEE-UHFFFAOYSA-N
Mol Weight 379.67 g/mol
Molecular Formula C17H29N3OSSi2
Exact Mass 379.156987 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8oTKB0qRkqk
Name 3-(4-Phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-propanol, 2tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 379.156986809 u
Formula C17H29N3OSSi2
InChI InChI=1S/C17H29N3OSSi2/c1-23(2,3)21-14-10-13-16-18-19-17(22-24(4,5)6)20(16)15-11-8-7-9-12-15/h7-9,11-12H,10,13-14H2,1-6H3
InChIKey BRMDSMLPUQUXEE-UHFFFAOYSA-N
Molecular Weight 379.669 g/mol
SMILES C=1(S[Si](C)(C)C)N(C(=NN1)CCCO[Si](C)(C)C)C1=CC=CC=C1