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alpha-(tert-butylsulfonyl)-2-chloro-4-(trifluoromethyl)cinnamonitrile

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alpha-(tert-butylsulfonyl)-2-chloro-4-(trifluoromethyl)cinnamonitrile
SpectraBase Compound ID AQrxmuIJW1
InChI InChI=1S/C14H13ClF3NO2S/c1-13(2,3)22(20,21)11(8-19)6-9-4-5-10(7-12(9)15)14(16,17)18/h4-7H,1-3H3
InChIKey GQYWSPGOSQQVNJ-UHFFFAOYSA-N
Mol Weight 351.77 g/mol
Molecular Formula C14H13ClF3NO2S
Exact Mass 351.030762 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1Ul0gBVYmLl
Name alpha-(tert-BUTYLSULFONYL)-2-CHLORO-4-(TRIFLUOROMETHYL)CINNAMONITRILE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13ClF3NO2S
InChI InChI=1S/C14H13ClF3NO2S/c1-13(2,3)22(20,21)11(8-19)6-9-4-5-10(7-12(9)15)14(16,17)18/h4-7H,1-3H3
InChIKey GQYWSPGOSQQVNJ-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 94-96C
Molecular Weight 351.78
Solvent CDCl3; Reference=TMS; Temperature 297K