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4-IODO-5-(PHENYLSULFONYL)-OCTANE;MINOR-ISOMER

View entire compound with spectra: 1 NMR

4-IODO-5-(PHENYLSULFONYL)-OCTANE;MINOR-ISOMER
SpectraBase Compound ID ARiMPBg1QU7
InChI InChI=1S/C14H21IO2S/c1-3-8-13(15)14(9-4-2)18(16,17)12-10-6-5-7-11-12/h5-7,10-11,13-14H,3-4,8-9H2,1-2H3/t13-,14+/m1/s1
InChIKey HDYNYRPBJLHHKD-KGLIPLIRSA-N
Mol Weight 380.28 g/mol
Molecular Formula C14H21IO2S
Exact Mass 380.030696 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L0DaSfSHoHS
Name 4-IODO-5-(PHENYLSULFONYL)-OCTANE;MINOR-ISOMER
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H21IO2S
InChI InChI=1S/C14H21IO2S/c1-3-8-13(15)14(9-4-2)18(16,17)12-10-6-5-7-11-12/h5-7,10-11,13-14H,3-4,8-9H2,1-2H3/t13-,14+/m1/s1
InChIKey HDYNYRPBJLHHKD-KGLIPLIRSA-N
Literature Reference Author R.R.WOLFF,V.BASAVA,R.M.GIULIANO,W.J.BOYKO,J.H.SCHAUBLE
Literature Reference Citation CAN.J.CHEM.,84,667(2006)
Literature Reference DOI 10.1139/v06-051
Molecular Weight 380.284 g/mol
Sample ID 46708
Solvent CDCl3