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(Z)-1-(BUTYLTHIO)-1-(METHYLSELENO)-3-PHENYL-1,4-PENTADIENE
SpectraBase Compound ID 3W2JoWm9JNN
InChI InChI=1S/C16H22SSe/c1-4-6-12-17-16(18-3)13-14(5-2)15-10-8-7-9-11-15/h5,7-11,13-14H,2,4,6,12H2,1,3H3/b16-13-
InChIKey IPLGIZIUCFJCNE-SSZFMOIBSA-N
Mol Weight 325.38 g/mol
Molecular Formula C16H22SSe
Exact Mass 326.060744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ITvyuYlM3me
Name (Z)-1-(BUTYLTHIO)-1-(METHYLSELENO)-3-PHENYL-1,4-PENTADIENE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22SSe
InChI InChI=1S/C16H22SSe/c1-4-6-12-17-16(18-3)13-14(5-2)15-10-8-7-9-11-15/h5,7-11,13-14H,2,4,6,12H2,1,3H3/b16-13-
InChIKey IPLGIZIUCFJCNE-SSZFMOIBSA-N
Literature Reference Author T.MURAI,S.HAYAKAWA,S.KATO
Literature Reference Citation J.ORG.CHEM.,66,8101(2001)
Literature Reference DOI 10.1021/jo015899x
Molecular Weight 325.371 g/mol
Solvent CDCl3
Source File Reference UWVN26072