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Propenenitrile, 3-(2-chlorophenyl)-2-(1-methyl-2-imidazolylsulfonyl)-

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

Propenenitrile, 3-(2-chlorophenyl)-2-(1-methyl-2-imidazolylsulfonyl)-
SpectraBase Compound ID 3BTAA1yvwj9
InChI InChI=1S/C13H10ClN3O2S/c1-17-7-6-16-13(17)20(18,19)11(9-15)8-10-4-2-3-5-12(10)14/h2-8H,1H3/b11-8+
InChIKey BJBRRIKCLCVXRP-DHZHZOJOSA-N
Mol Weight 307.76 g/mol
Molecular Formula C13H10ClN3O2S
Exact Mass 307.018225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Hc5NOG9F7P
Name Propenenitrile, 3-(2-chlorophenyl)-2-(1-methyl-2-imidazolylsulfonyl)-
Comments Computed using HOSE algorithm
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Exact Mass 307.018225446 u
Formula C13H10ClN3O2S
InChI InChI=1S/C13H10ClN3O2S/c1-17-7-6-16-13(17)20(18,19)11(9-15)8-10-4-2-3-5-12(10)14/h2-8H,1H3/b11-8+
InChIKey BJBRRIKCLCVXRP-DHZHZOJOSA-N
Molecular Weight 307.755 g/mol
SMILES C1=CC=C(C(=C1)Cl)\C=C/(S(C=1N(C)C=CN1)(=O)=O)C#N