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4-(dodecylsulfonyl)butyronitrile

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4-(dodecylsulfonyl)butyronitrile
SpectraBase Compound ID BGjxTSexbvY
InChI InChI=1S/C16H31NO2S/c1-2-3-4-5-6-7-8-9-10-12-15-20(18,19)16-13-11-14-17/h2-13,15-16H2,1H3
InChIKey OHIFAPCDWRQTMV-UHFFFAOYSA-N
Mol Weight 301.49 g/mol
Molecular Formula C16H31NO2S
Exact Mass 301.20755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BLsFPxl2Pyi
Name 4-(DODECYLSULFONYL)BUTYRONITRILE
Source of Sample Union Carbide Corporation, New York, New York
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H31NO2S
InChI InChI=1S/C16H31NO2S/c1-2-3-4-5-6-7-8-9-10-12-15-20(18,19)16-13-11-14-17/h2-13,15-16H2,1H3
InChIKey OHIFAPCDWRQTMV-UHFFFAOYSA-N
Melting Point 76C
Molecular Weight 301.49
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BUTYRONITRILE, 4-/DODECYLSULFONYL/-,