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cis-2-tert-Butyl-5-nonyl-1-tosylpyrrolidin-3-one
SpectraBase Compound ID 7Y3609ufHBP
InChI InChI=1S/C24H39NO3S/c1-6-7-8-9-10-11-12-13-20-18-22(26)23(24(3,4)5)25(20)29(27,28)21-16-14-19(2)15-17-21/h14-17,20,23H,6-13,18H2,1-5H3/t20-,23-/m0/s1
InChIKey AMQSWNMQBQUQMA-REWPJTCUSA-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 GvRhZPkaJRR
Name cis-2-tert-Butyl-5-nonyl-1-tosylpyrrolidin-3-one
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.265065291 u
Formula C24H39NO3S
InChI InChI=1S/C24H39NO3S/c1-6-7-8-9-10-11-12-13-20-18-22(26)23(24(3,4)5)25(20)29(27,28)21-16-14-19(2)15-17-21/h14-17,20,23H,6-13,18H2,1-5H3/t20-,23-/m0/s1
InChIKey AMQSWNMQBQUQMA-REWPJTCUSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800598
Molecular Weight 421.640 g/mol
Quality 61
SMILES C1C([C@](N([C@]1(CCCCCCCCC)[H])S(C1=CC=C(C=C1)C)(=O)=O)(C(C)(C)C)[H])=O
SPLASH splash10-02t9-2159000000-9368649670e49f538929
Source of Spectrum K1-2018-SM23-cis-31 (DOI: 10.1002/ejoc.201800598)
Wiley ID 1894199