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BENZENECARBOSELENOIC-ACID-SE-[1-(BUTYLTHIO)-3-METHYL-1,4-PENTADIENYL]-ESTER
SpectraBase Compound ID 2MfNCKASA2p
InChI InChI=1S/C17H22OSSe/c1-4-6-12-19-16(13-14(3)5-2)20-17(18)15-10-8-7-9-11-15/h5,7-11,13-14H,2,4,6,12H2,1,3H3/b16-13+
InChIKey KRLZVABMMILPDY-DTQAZKPQSA-N
Mol Weight 353.39 g/mol
Molecular Formula C17H22OSSe
Exact Mass 354.055659 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2rpMjmvpBql
Name BENZENECARBOSELENOIC-ACID-SE-[1-(BUTYLTHIO)-3-METHYL-1,4-PENTADIENYL]-ESTER
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22OSSe
InChI InChI=1S/C17H22OSSe/c1-4-6-12-19-16(13-14(3)5-2)20-17(18)15-10-8-7-9-11-15/h5,7-11,13-14H,2,4,6,12H2,1,3H3/b16-13+
InChIKey KRLZVABMMILPDY-DTQAZKPQSA-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 353.381 g/mol
Solvent CDCl3
Source File Reference UWVN26079