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2,5-cis-5-Nonyl-2-phenyl-1-tosylpyrrolidin-3-one
SpectraBase Compound ID IHbKZxxi7Xf
InChI InChI=1S/C26H35NO3S/c1-3-4-5-6-7-8-12-15-23-20-25(28)26(22-13-10-9-11-14-22)27(23)31(29,30)24-18-16-21(2)17-19-24/h9-11,13-14,16-19,23,26H,3-8,12,15,20H2,1-2H3/t23-,26+/m0/s1
InChIKey AVADHAZPYHAXBS-JYFHCDHNSA-N
Mol Weight 441.6 g/mol
Molecular Formula C26H35NO3S
Exact Mass 441.233765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IH1Wq7FUVdk
Name 2,5-cis-5-Nonyl-2-phenyl-1-tosylpyrrolidin-3-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35NO3S
InChI InChI=1S/C26H35NO3S/c1-3-4-5-6-7-8-12-15-23-20-25(28)26(22-13-10-9-11-14-22)27(23)31(29,30)24-18-16-21(2)17-19-24/h9-11,13-14,16-19,23,26H,3-8,12,15,20H2,1-2H3/t23-,26+/m0/s1
InChIKey AVADHAZPYHAXBS-JYFHCDHNSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800598
Molecular Weight 441.630 g/mol
Quality 32
Reported Formula C26H35NO3S
SMILES C1C([C@](N([C@]1(CCCCCCCCC)[H])S(C1=CC=C(C=C1)C)(=O)=O)(C1=CC=CC=C1)[H])=O
SPLASH splash10-03di-0439800000-7f2207a770689cc232ee
Source of Spectrum K1-2018-SM21-cis-29 (DOI: 10.1002/ejoc.201800598)
Wiley ID 1894197