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5-[Chloro(toluene-4-sulfonyl)methyl]-2-nitrophenyl toluene-4-sulfonate
SpectraBase Compound ID JQFXgjfVahe
InChI InChI=1S/C21H18ClNO7S2/c1-14-3-8-17(9-4-14)31(26,27)21(22)16-7-12-19(23(24)25)20(13-16)30-32(28,29)18-10-5-15(2)6-11-18/h3-13,21H,1-2H3
InChIKey ZCMPMUHHPHHLIV-UHFFFAOYSA-N
Mol Weight 495.95 g/mol
Molecular Formula C21H18ClNO7S2
Exact Mass 495.021322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6y2ujvxXULw
Name 5-[Chloro(toluene-4-sulfonyl)methyl]-2-nitrophenyl toluene-4-sulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18ClNO7S2
InChI InChI=1S/C21H18ClNO7S2/c1-14-3-8-17(9-4-14)31(26,27)21(22)16-7-12-19(23(24)25)20(13-16)30-32(28,29)18-10-5-15(2)6-11-18/h3-13,21H,1-2H3
InChIKey ZCMPMUHHPHHLIV-UHFFFAOYSA-N
Molecular Weight 495.948 g/mol
SMILES c1(ccc(cc1)S(=O)(=O)Oc1c(ccc(c1)C(S(=O)(=O)c1ccc(cc1)C)Cl)N(=O)=O)C
SPLASH splash10-000f-4913000000-deb0c30589e13fdac2f6
Source of Spectrum F-53-4748-19
Synonyms 5-{chloro[(4-methylphenyl)sulfonyl]methyl}-2-nitrophenyl 4-methylbenzenesulfonate
Wiley ID 801386