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cis-2-Butyl-5-nonyl-1-tosylpyrrolidin-3-one
SpectraBase Compound ID CYAW4J6tafC
InChI InChI=1S/C24H39NO3S/c1-4-6-8-9-10-11-12-13-21-19-24(26)23(14-7-5-2)25(21)29(27,28)22-17-15-20(3)16-18-22/h15-18,21,23H,4-14,19H2,1-3H3/t21-,23+/m0/s1
InChIKey WQYPYMRIELSDNP-JTHBVZDNSA-N
Mol Weight 421.6 g/mol
Molecular Formula C24H39NO3S
Exact Mass 421.265065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Li7nYFcFtkO
Name cis-2-Butyl-5-nonyl-1-tosylpyrrolidin-3-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.265065291 u
Formula C24H39NO3S
InChI InChI=1S/C24H39NO3S/c1-4-6-8-9-10-11-12-13-21-19-24(26)23(14-7-5-2)25(21)29(27,28)22-17-15-20(3)16-18-22/h15-18,21,23H,4-14,19H2,1-3H3/t21-,23+/m0/s1
InChIKey WQYPYMRIELSDNP-JTHBVZDNSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800598
Molecular Weight 421.640 g/mol
Quality 75
SMILES C1C([C@](N([C@]1(CCCCCCCCC)[H])S(C1=CC=C(C=C1)C)(=O)=O)(CCCC)[H])=O
SPLASH splash10-0006-5491000000-1e822f4b4ee28e60ccbc
Source of Spectrum K1-2018-SM22-cis-30 (DOI: 10.1002/ejoc.201800598)
Wiley ID 1894198