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cis-2-Isopropyl-1-(2-nitro-benzenesulfonyl)-6-((E)-styryl)-piperidine
SpectraBase Compound ID 9ZWWgSIWqSx
InChI InChI=1S/C22H26N2O4S/c1-17(2)20-13-8-11-19(16-15-18-9-4-3-5-10-18)23(20)29(27,28)22-14-7-6-12-21(22)24(25)26/h3-7,9-10,12,14-17,19-20H,8,11,13H2,1-2H3/b16-15+/t19-,20+/m1/s1
InChIKey FPRZULVNYHNSKM-HEQKZDDYSA-N
Mol Weight 414.52 g/mol
Molecular Formula C22H26N2O4S
Exact Mass 414.161328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IUfzi4GepfL
Name cis-2-Isopropyl-1-(2-nitro-benzenesulfonyl)-6-((E)-styryl)-piperidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26N2O4S
InChI InChI=1S/C22H26N2O4S/c1-17(2)20-13-8-11-19(16-15-18-9-4-3-5-10-18)23(20)29(27,28)22-14-7-6-12-21(22)24(25)26/h3-7,9-10,12,14-17,19-20H,8,11,13H2,1-2H3/b16-15+/t19-,20+/m1/s1
InChIKey FPRZULVNYHNSKM-HEQKZDDYSA-N
Literature Reference DOI 10.1021/ol100422d
Molecular Weight 414.520 g/mol
SMILES C1[C@](\C=C\c2ccccc2)(N(S(c2ccccc2[N+](=O)[O-])(=O)=O)[C@](C(C)C)(CC1)[H])[H]
SPLASH splash10-0006-1900000000-25f071a3dc10ae829498
Source of Spectrum A1-12-1808/SMS19-4g
Synonyms (2S,6R)-2-isopropyl-1-((2-nitrophenyl)sulfonyl)-6-((E)-styryl)piperidine
Wiley ID 1752087