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5-Nitro-2-[1-(phenylsulfonyl)ethyl]phenyl toluene-4-sulfonate
SpectraBase Compound ID 5yUIH61VZgX
InChI InChI=1S/C21H19NO7S2/c1-15-8-11-19(12-9-15)31(27,28)29-21-14-17(22(23)24)10-13-20(21)16(2)30(25,26)18-6-4-3-5-7-18/h3-14,16H,1-2H3
InChIKey FAEAKGHQJLYWAW-UHFFFAOYSA-N
Mol Weight 461.5 g/mol
Molecular Formula C21H19NO7S2
Exact Mass 461.060294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTGXdv5Fi0H
Name 5-Nitro-2-[1-(phenylsulfonyl)ethyl]phenyl toluene-4-sulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO7S2
InChI InChI=1S/C21H19NO7S2/c1-15-8-11-19(12-9-15)31(27,28)29-21-14-17(22(23)24)10-13-20(21)16(2)30(25,26)18-6-4-3-5-7-18/h3-14,16H,1-2H3
InChIKey FAEAKGHQJLYWAW-UHFFFAOYSA-N
Molecular Weight 461.503 g/mol
SMILES c1(ccc(cc1)S(=O)(=O)Oc1c(ccc(c1)N(=O)=O)C(C)S(=O)(=O)c1ccccc1)C
SPLASH splash10-0abc-7906000000-76b023b6f18f104b4951
Source of Spectrum F-53-4746-9
Synonyms 4-Methylbenzenesulfonic acid[2-(1-besylethyl)-5-nitro-phenyl]ester 4-Methylbenzenesulfonic acid[2-[1-(benzenesulfonyl)ethyl]-5-nitrophenyl]ester [2-[1-(benzenesulfonyl)ethyl]-5-nitro-phenyl]4-methylbenzenesulfonate [5-nitro-2-[1-(phenylsulfonyl)ethyl]phenyl]4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [2-[1-(benzenesulfonyl)ethyl]-5-nitrophenyl] ester [2-[1-(benzenesulfonyl)ethyl]-5-nitrophenyl] 4-methylbenzenesulfonate [2-[1-(benzenesulfonyl)ethyl]-5-nitro-phenyl] 4-methylbenzenesulfonate [5-nitro-2-[1-(phenylsulfonyl)ethyl]phenyl] 4-methylbenzenesulfonate
Wiley ID 801399