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(E)-4-(8-(2-Methylphenyl)-3-vinyl-6-octen-1-yl)-1-tosylpiperidine
SpectraBase Compound ID 8drd0fxeE0O
InChI InChI=1S/C29H39NO2S/c1-4-26(11-6-5-7-12-28-13-9-8-10-25(28)3)16-17-27-20-22-30(23-21-27)33(31,32)29-18-14-24(2)15-19-29/h4-5,7-10,13-15,18-19,26-27H,1,6,11-12,16-17,20-23H2,2-3H3/b7-5+
InChIKey XXVRGVVKKZKKCA-FNORWQNLSA-N
Mol Weight 465.7 g/mol
Molecular Formula C29H39NO2S
Exact Mass 465.270151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Iah3q1Dg8
Name (E)-4-(8-(2-Methylphenyl)-3-vinyl-6-octen-1-yl)-1-tosylpiperidine
Appearance Colorless oil
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Exact Mass 465.270150672 u
Formula C29H39NO2S
InChI InChI=1S/C29H39NO2S/c1-4-26(11-6-5-7-12-28-13-9-8-10-25(28)3)16-17-27-20-22-30(23-21-27)33(31,32)29-18-14-24(2)15-19-29/h4-5,7-10,13-15,18-19,26-27H,1,6,11-12,16-17,20-23H2,2-3H3/b7-5+
InChIKey XXVRGVVKKZKKCA-FNORWQNLSA-N
Instrument Name JEOL JMS-DX303HF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201601126
Molecular Weight 465.696 g/mol
Reported Formula C29H39NO2S
SMILES CC1=C(C=CC=C1)C\C=C\CCC(CCC1CCN(CC1)S(C1=CC=C(C=C1)C)(=O)=O)C=C
SPLASH splash10-03dr-0096100000-3451fbf20c8d0a36f456
Source of Spectrum ACI-55-SM25-3fa (DOI: 10.1002/anie.201601126)
Wiley ID 1897421