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[(6-Chloro-3-pyridazinyl)sulfanyl]acetic acid, tert-butyldimethylsilyl ester
SpectraBase Compound ID a5mbP93rer
InChI InChI=1S/C12H19ClN2O2SSi/c1-12(2,3)19(4,5)17-11(16)8-18-10-7-6-9(13)14-15-10/h6-7H,8H2,1-5H3
InChIKey AXZBMUVAVZHWKA-UHFFFAOYSA-N
Mol Weight 318.89 g/mol
Molecular Formula C12H19ClN2O2SSi
Exact Mass 318.062503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JT2mJb0gAeC
Name [(6-Chloro-3-pyridazinyl)sulfanyl]acetic acid, tert-butyldimethylsilyl ester
Comments Computed using HOSE algorithm
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Exact Mass 318.062503267 u
Formula C12H19ClN2O2SSi
InChI InChI=1S/C12H19ClN2O2SSi/c1-12(2,3)19(4,5)17-11(16)8-18-10-7-6-9(13)14-15-10/h6-7H,8H2,1-5H3
InChIKey AXZBMUVAVZHWKA-UHFFFAOYSA-N
Molecular Weight 318.894 g/mol
SMILES C(SC1=NN=C(C=C1)Cl)C(=O)O[Si](C)(C(C)(C)C)C