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1-(4-trifluoromethylphenyl)-3-[4-(4-pyrrolidin-1-ylbutoxy)benzene]sulfonylurea
SpectraBase Compound ID FgBhMQFzYT0
InChI InChI=1S/C22H26F3N3O4S/c23-22(24,25)17-5-7-18(8-6-17)26-21(29)27-33(30,31)20-11-9-19(10-12-20)32-16-4-3-15-28-13-1-2-14-28/h5-12H,1-4,13-16H2,(H2,26,27,29)
InChIKey OPKMNDOPURXJDG-UHFFFAOYSA-N
Mol Weight 485.52 g/mol
Molecular Formula C22H26F3N3O4S
Exact Mass 485.159612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZIwVhiqqzA
Name 1-(4-trifluoromethylphenyl)-3-[4-(4-pyrrolidin-1-ylbutoxy)benzene]sulfonylurea
Alternate Name(s) 1-[4-[4-(1-pyrrolidinyl)butoxy]phenyl]sulfonyl-3-[4-(trifluoromethyl)phenyl]urea 1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]sulfonyl-3-[4-(trifluoromethyl)phenyl]urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26F3N3O4S
InChI InChI=1S/C22H26F3N3O4S/c23-22(24,25)17-5-7-18(8-6-17)26-21(29)27-33(30,31)20-11-9-19(10-12-20)32-16-4-3-15-28-13-1-2-14-28/h5-12H,1-4,13-16H2,(H2,26,27,29)
InChIKey OPKMNDOPURXJDG-UHFFFAOYSA-N
Molecular Weight 485.522 g/mol
SMILES N(C(=O)NS(=O)(=O)c1ccc(cc1)OCCCCN1CCCC1)c1ccc(cc1)C(F)(F)F
SPLASH splash10-01qi-6900000000-96b243456ed1b1ea147d
Source of Spectrum F2-52-10-46
Wiley ID 1716589