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cis-3-tert-Butyl-1-pentyl-4-(phenylthio)piperidin-2-one
SpectraBase Compound ID B3UjewWEto8
InChI InChI=1S/C20H31NOS/c1-5-6-10-14-21-15-13-17(18(19(21)22)20(2,3)4)23-16-11-8-7-9-12-16/h7-9,11-12,17-18H,5-6,10,13-15H2,1-4H3/t17-,18-/m1/s1
InChIKey HBKRPNSBVKNBNF-QZTJIDSGSA-N
Mol Weight 333.53 g/mol
Molecular Formula C20H31NOS
Exact Mass 333.212636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FjPv8hGSpXI
Name cis-3-tert-Butyl-1-pentyl-4-(phenylthio)piperidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31NOS
InChI InChI=1S/C20H31NOS/c1-5-6-10-14-21-15-13-17(18(19(21)22)20(2,3)4)23-16-11-8-7-9-12-16/h7-9,11-12,17-18H,5-6,10,13-15H2,1-4H3/t17-,18-/m1/s1
InChIKey HBKRPNSBVKNBNF-QZTJIDSGSA-N
Literature Reference DOI 10.1002/jccs.201000113
Molecular Weight 333.534 g/mol
SMILES C1N(C([C@@]([C@@](C1)(Sc1ccccc1)[H])(C(C)(C)C)[H])=O)CCCCC
SPLASH splash10-014i-0910000000-a388ae2419b58c073b5f
Source of Spectrum QA-57-818-10b
Synonyms (3S,4R)-3-(tert-butyl)-1-pentyl-4-(phenylthio)piperidin-2-one
Wiley ID 1791226