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(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 1-phenyl-1H-tetraazol-5-yl sulfide

View entire compound with spectra: 2 NMR, and 1 MS (GC)

(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 1-phenyl-1H-tetraazol-5-yl sulfide
SpectraBase Compound ID 8gBEXTBSwEw
InChI InChI=1S/C16H13ClN4O2S/c17-13-6-11-8-22-10-23-15(11)12(7-13)9-24-16-18-19-20-21(16)14-4-2-1-3-5-14/h1-7H,8-10H2
InChIKey BYCJVRDVACUILT-UHFFFAOYSA-N
Mol Weight 360.82 g/mol
Molecular Formula C16H13ClN4O2S
Exact Mass 360.044775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2EMMvOSk8HV
Name (6-Chloro-4H-1,3-benzodioxin-8-yl)methyl 1-phenyl-1H-tetraazol-5-yl sulfide
Comments Computed using HOSE algorithm
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Exact Mass 360.044774547 u
Formula C16H13ClN4O2S
InChI InChI=1S/C16H13ClN4O2S/c17-13-6-11-8-22-10-23-15(11)12(7-13)9-24-16-18-19-20-21(16)14-4-2-1-3-5-14/h1-7H,8-10H2
InChIKey BYCJVRDVACUILT-UHFFFAOYSA-N
Molecular Weight 360.819 g/mol
SMILES C1=CC=C(N2C(=NN=N2)SCC=2C3=C(COCO3)C=C(C2)Cl)C=C1