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(2S,5S)-2-butyl-5-heptyl-1-(phenylsulfonyl)pyrrolidine

View entire compound with spectra: 1 MS (GC)

(2S,5S)-2-butyl-5-heptyl-1-(phenylsulfonyl)pyrrolidine
SpectraBase Compound ID A7LMprGrqoQ
InChI InChI=1S/C21H35NO2S/c1-3-5-7-8-10-14-20-18-17-19(13-6-4-2)22(20)25(23,24)21-15-11-9-12-16-21/h9,11-12,15-16,19-20H,3-8,10,13-14,17-18H2,1-2H3/t19-,20-/m0/s1
InChIKey GHQQBENDGIZDTF-PMACEKPBSA-N
Mol Weight 365.6 g/mol
Molecular Formula C21H35NO2S
Exact Mass 365.238851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ArEqoG7n4yE
Name (2S,5S)-2-butyl-5-heptyl-1-(phenylsulfonyl)pyrrolidine
Alternate Name(s) (2S,5S)-1-(benzenesulfonyl)-2-butyl-5-heptylpyrrolidine (2S,5S)-1-(benzenesulfonyl)-2-butyl-5-heptyl-pyrrolidine
CAS Registry Number 95587-13-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H35NO2S
InChI InChI=1S/C21H35NO2S/c1-3-5-7-8-10-14-20-18-17-19(13-6-4-2)22(20)25(23,24)21-15-11-9-12-16-21/h9,11-12,15-16,19-20H,3-8,10,13-14,17-18H2,1-2H3/t19-,20-/m0/s1
InChIKey GHQQBENDGIZDTF-PMACEKPBSA-N
Molecular Weight 365.576 g/mol
SMILES [C@@]1(N(S(=O)(=O)c2ccccc2)[C@](CC1)(CCCC)[H])(CCCCCCC)[H]
SPLASH splash10-0aor-2189000000-8dd44cab83efced982e5
Source of Spectrum F-44-2468-18
Wiley ID 1351451