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4-Dichloromethyl-3-nitrophenyl toluene-4-sulfonate
SpectraBase Compound ID HD92M0b3j76
InChI InChI=1S/C14H11Cl2NO5S/c1-9-2-5-11(6-3-9)23(20,21)22-10-4-7-12(14(15)16)13(8-10)17(18)19/h2-8,14H,1H3
InChIKey XLNFIAUEDRJOEZ-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 KwLTgDBD2IM
Name 4-Dichloromethyl-3-nitrophenyl toluene-4-sulfonate
Alternate Name(s) 4-(dichloromethyl)-3-nitrophenyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [4-(dichloromethyl)-3-nitrophenyl] ester [4-(dichloromethyl)-3-nitrophenyl] 4-methylbenzenesulfonate [4-(dichloromethyl)-3-nitro-phenyl] 4-methylbenzenesulfonate [4-[bis(chloranyl)methyl]-3-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)22-10-4-7-12(14(15)16)13(8-10)17(18)19/h2-8,14H,1H3
InChIKey XLNFIAUEDRJOEZ-UHFFFAOYSA-N
Molecular Weight 376.210 g/mol
SMILES c1(ccc(cc1)S(=O)(=O)Oc1cc(c(cc1)C(Cl)Cl)N(=O)=O)C
SPLASH splash10-052f-9700000000-d8ee9d100badb7893020
Source of Spectrum F-53-4747-10
Wiley ID 801396