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4-[bis(2-methylsulfonyloxyethyl)amino]-2-fluoranyl-benzoic acid
SpectraBase Compound ID FCLMphKwLZ
InChI InChI=1S/C13H18FNO8S2/c1-24(18,19)22-7-5-15(6-8-23-25(2,20)21)10-3-4-11(13(16)17)12(14)9-10/h3-4,9H,5-8H2,1-2H3,(H,16,17)
InChIKey SOFNCOJAPOPJQL-UHFFFAOYSA-N
Mol Weight 399.4 g/mol
Molecular Formula C13H18FNO8S2
Exact Mass 399.045787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KVsIHfVDHhp
Name 4-[bis(2-methylsulfonyloxyethyl)amino]-2-fluoranyl-benzoic acid
Alternate Name(s) 4-[bis(2-methylsulfonyloxyethyl)amino]-2-fluorobenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18FNO8S2
InChI InChI=1S/C13H18FNO8S2/c1-24(18,19)22-7-5-15(6-8-23-25(2,20)21)10-3-4-11(13(16)17)12(14)9-10/h3-4,9H,5-8H2,1-2H3,(H,16,17)
InChIKey SOFNCOJAPOPJQL-UHFFFAOYSA-N
Molecular Weight 399.404 g/mol
SMILES OC(c1c(cc(cc1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)F)=O
SPLASH splash10-0007-0091000000-dc3b2345408b9d8894a5
Source of Spectrum E1-37-2368-10
Wiley ID 1575150