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4-Nitro-3-[1-(phenylsulfonyl)ethyl]phenyl toluene-4-sulfonate
SpectraBase Compound ID Fkf1NRPpbyB
InChI InChI=1S/C21H19NO7S2/c1-15-8-11-19(12-9-15)31(27,28)29-17-10-13-21(22(23)24)20(14-17)16(2)30(25,26)18-6-4-3-5-7-18/h3-14,16H,1-2H3
InChIKey IYFNEJYLPAWFFW-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 KPYZ3mWQzQP
Name 4-Nitro-3-[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)29-17-10-13-21(22(23)24)20(14-17)16(2)30(25,26)18-6-4-3-5-7-18/h3-14,16H,1-2H3
InChIKey IYFNEJYLPAWFFW-UHFFFAOYSA-N
Molecular Weight 461.503 g/mol
SMILES c1(ccc(cc1)S(=O)(=O)Oc1cc(c(cc1)N(=O)=O)C(C)S(=O)(=O)c1ccccc1)C
SPLASH splash10-00dl-6509000000-8ba53f93fe6a8ebf73fd
Source of Spectrum F-53-4747-13
Synonyms 4-Nitro-3-[1-(phenylsulfonyl)ethyl]phenyl 4-methylbenzenesulfonate
Wiley ID 801391