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E-alpha-(tert-butylsulfonyl)-3-chloro-4-fluorocinnamonitrile

View entire compound with spectra: 2 NMR, and 1 FTIR

E-alpha-(tert-butylsulfonyl)-3-chloro-4-fluorocinnamonitrile
SpectraBase Compound ID Gl4SxVhL8jz
InChI InChI=1S/C13H13ClFNO2S/c1-13(2,3)19(17,18)10(8-16)6-9-4-5-12(15)11(14)7-9/h4-7H,1-3H3/b10-6+
InChIKey MSWWSFWDRFEJQK-UXBLZVDNSA-N
Mol Weight 301.76 g/mol
Molecular Formula C13H13ClFNO2S
Exact Mass 301.033956 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID suLY8Y7Lwy
Name E-alpha-(tert-butylsulfonyl)-3-chloro-4-fluorocinnamonitrile
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClFNO2S
InChI InChI=1S/C13H13ClFNO2S/c1-13(2,3)19(17,18)10(8-16)6-9-4-5-12(15)11(14)7-9/h4-7H,1-3H3/b10-6+
InChIKey MSWWSFWDRFEJQK-UXBLZVDNSA-N
Instrument Name BRUKER AC-300
Molecular Weight 301.77
Solvent CDCl3; Reference=TMS; Temperature 297K