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cis-2-Pentyl-6-((E)-styryl)-1-(toluene-4-sulfonyl)-piperidine
SpectraBase Compound ID JG3g0Wochbp
InChI InChI=1S/C25H33NO2S/c1-3-4-6-12-23-13-9-14-24(18-17-22-10-7-5-8-11-22)26(23)29(27,28)25-19-15-21(2)16-20-25/h5,7-8,10-11,15-20,23-24H,3-4,6,9,12-14H2,1-2H3/b18-17+/t23-,24-/m1/s1
InChIKey NJXLJVMNYLMOCS-BEZSILKHSA-N
Mol Weight 411.6 g/mol
Molecular Formula C25H33NO2S
Exact Mass 411.2232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3y1olaruuvE
Name cis-2-Pentyl-6-((E)-styryl)-1-(toluene-4-sulfonyl)-piperidine
Alternate Name(s) (2R,6R)-2-pentyl-6-((E)-styryl)-1-tosylpiperidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33NO2S
InChI InChI=1S/C25H33NO2S/c1-3-4-6-12-23-13-9-14-24(18-17-22-10-7-5-8-11-22)26(23)29(27,28)25-19-15-21(2)16-20-25/h5,7-8,10-11,15-20,23-24H,3-4,6,9,12-14H2,1-2H3/b18-17+/t23-,24-/m1/s1
InChIKey NJXLJVMNYLMOCS-BEZSILKHSA-N
Literature Reference DOI 10.1021/ol100422d
Molecular Weight 411.604 g/mol
SMILES C1[C@](\C=C\c2ccccc2)(N([C@](CCCCC)(CC1)[H])S(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-0006-3921000000-4d2078fa9a989104ff6c
Source of Spectrum A1-12-1808/SMS17-4b
Wiley ID 1752083