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2-Dichloromethyl-5-nitrophenyl toluene-4-sulfonate
SpectraBase Compound ID I4mSOAj52dL
InChI InChI=1S/C14H11Cl2NO5S/c1-9-2-5-11(6-3-9)23(20,21)22-13-8-10(17(18)19)4-7-12(13)14(15)16/h2-8,14H,1H3
InChIKey IQAJPBFBEQWKDL-UHFFFAOYSA-N
Mol Weight 376.21 g/mol
Molecular Formula C14H11Cl2NO5S
Exact Mass 374.973499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DRGaFAcvFpv
Name 2-Dichloromethyl-5-nitrophenyl toluene-4-sulfonate
Alternate Name(s) 4-Methylbenzenesulfonic acid[2-(dichloromethyl)-5-nitro-phenyl]ester [2-(dichloromethyl)-5-nitro-phenyl]4-methylbenzenesulfonate [2-[bis(chloranyl)methyl]-5-nitro-phenyl]4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [2-(dichloromethyl)-5-nitrophenyl] ester [2-(dichloromethyl)-5-nitrophenyl] 4-methylbenzenesulfonate [2-(dichloromethyl)-5-nitro-phenyl] 4-methylbenzenesulfonate [2-[bis(chloranyl)methyl]-5-nitro-phenyl] 4-methylbenzenesulfonate
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Formula C14H11Cl2NO5S
InChI InChI=1S/C14H11Cl2NO5S/c1-9-2-5-11(6-3-9)23(20,21)22-13-8-10(17(18)19)4-7-12(13)14(15)16/h2-8,14H,1H3
InChIKey IQAJPBFBEQWKDL-UHFFFAOYSA-N
Molecular Weight 376.210 g/mol
SMILES c1(ccc(cc1)S(=O)(=O)Oc1c(ccc(c1)N(=O)=O)C(Cl)Cl)C
SPLASH splash10-0a4l-6900000000-91c9d476397889eb26d0
Source of Spectrum F-53-4747-10
Wiley ID 801397