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N-[4-[(1S)-4-[ethyl-(6-fluoranyl-6-methyl-heptyl)amino]-1-oxidanyl-butyl]phenyl]methanesulfonamide
SpectraBase Compound ID GlmnSOE4Sqw
InChI InChI=1S/C21H37FN2O3S/c1-5-24(16-8-6-7-15-21(2,3)22)17-9-10-20(25)18-11-13-19(14-12-18)23-28(4,26)27/h11-14,20,23,25H,5-10,15-17H2,1-4H3/t20-/m0/s1
InChIKey RPQUKWBLAHJOPX-FQEVSTJZSA-N
Mol Weight 416.6 g/mol
Molecular Formula C21H37FN2O3S
Exact Mass 416.250892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BU94egTlILo
Name N-[4-[(1S)-4-[ethyl-(6-fluoranyl-6-methyl-heptyl)amino]-1-oxidanyl-butyl]phenyl]methanesulfonamide
Alternate Name(s) N-[4-[(1S)-4-[ethyl-(6-fluoro-6-methyl-heptyl)amino]-1-hydroxy-butyl]phenyl]methanesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H37FN2O3S
InChI InChI=1S/C21H37FN2O3S/c1-5-24(16-8-6-7-15-21(2,3)22)17-9-10-20(25)18-11-13-19(14-12-18)23-28(4,26)27/h11-14,20,23,25H,5-10,15-17H2,1-4H3/t20-/m0/s1
InChIKey RPQUKWBLAHJOPX-FQEVSTJZSA-N
Molecular Weight 416.596 g/mol
SMILES N(S(C)(=O)=O)c1ccc([C@](CCCN(CCCCCC(C)(C)F)CC)(O)[H])cc1
SPLASH splash10-00os-1921000000-4b5fb56a3ca0d7b6d92f
Source of Spectrum F2-44-1106-45
Wiley ID 1639138