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butanamide, 4-(4-chloro-2-methylphenoxy)-N-(3-cyano-4,5-dimethyl-2-thienyl)-
SpectraBase Compound ID 75OXTXLuotd
InChI InChI=1S/C18H19ClN2O2S/c1-11-9-14(19)6-7-16(11)23-8-4-5-17(22)21-18-15(10-20)12(2)13(3)24-18/h6-7,9H,4-5,8H2,1-3H3,(H,21,22)
InChIKey LURTXUDWXJQHRC-UHFFFAOYSA-N
Mol Weight 362.88 g/mol
Molecular Formula C18H19ClN2O2S
Exact Mass 362.085577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BRqnjkaDaZx
Name Butanamide, 4-(4-chloro-2-methylphenoxy)-N-(3-cyano-4,5-dimethyl-2-thienyl)-
Comments Computed using HOSE algorithm
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Exact Mass 362.085576732 u
Formula C18H19ClN2O2S
InChI InChI=1S/C18H19ClN2O2S/c1-11-9-14(19)6-7-16(11)23-8-4-5-17(22)21-18-15(10-20)12(2)13(3)24-18/h6-7,9H,4-5,8H2,1-3H3,(H,21,22)
InChIKey LURTXUDWXJQHRC-UHFFFAOYSA-N
Molecular Weight 362.875 g/mol
SMILES N(C1=C(C(C)=C(S1)C)C#N)C(=O)CCCOC=1C(=CC(=CC1)Cl)C