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cis-2-Methyl-6-((E)-styryl)-1-(toluene-4-sulfonyl)-piperidine
SpectraBase Compound ID D3WFaVahFSD
InChI InChI=1S/C21H25NO2S/c1-17-11-15-21(16-12-17)25(23,24)22-18(2)7-6-10-20(22)14-13-19-8-4-3-5-9-19/h3-5,8-9,11-16,18,20H,6-7,10H2,1-2H3/b14-13+/t18-,20-/m1/s1
InChIKey YBRIRYQIOSTRLP-JQBOOCOKSA-N
Mol Weight 355.5 g/mol
Molecular Formula C21H25NO2S
Exact Mass 355.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46ReTDTieES
Name cis-2-Methyl-6-((E)-styryl)-1-(toluene-4-sulfonyl)-piperidine
Alternate Name(s) (2R,6R)-2-methyl-6-((E)-styryl)-1-tosylpiperidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO2S
InChI InChI=1S/C21H25NO2S/c1-17-11-15-21(16-12-17)25(23,24)22-18(2)7-6-10-20(22)14-13-19-8-4-3-5-9-19/h3-5,8-9,11-16,18,20H,6-7,10H2,1-2H3/b14-13+/t18-,20-/m1/s1
InChIKey YBRIRYQIOSTRLP-JQBOOCOKSA-N
Literature Reference DOI 10.1021/ol100422d
Molecular Weight 355.496 g/mol
SMILES C1[C@](\C=C\c2ccccc2)(N([C@](C)(CC1)[H])S(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-0007-4920000000-681f821d8485861e3b35
Source of Spectrum A1-12-1808/SMS18-4c
Wiley ID 1752084