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Benzoic acid, 5-(chlorosulfonyl)-2-nitro-, methyl ester
SpectraBase Compound ID GMOVp0K1Hss
InChI InChI=1S/C8H6ClNO6S/c1-16-8(11)6-4-5(17(9,14)15)2-3-7(6)10(12)13/h2-4H,1H3
InChIKey UTRAEMCZXKAYQH-UHFFFAOYSA-N
Mol Weight 279.65 g/mol
Molecular Formula C8H6ClNO6S
Exact Mass 278.960436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60XfXXr626c
Name Benzoic acid, 5-(chlorosulfonyl)-2-nitro-, methyl ester
Alternate Name(s) Methyl 5-(chlorosulfonyl)-2-nitrobenzoate 5-Chlorosulfonyl-2-nitrobenzoic acid methyl ester Methyl 5-chlorosulfonyl-2-nitrobenzoate Methyl 5-chlorosulfonyl-2-nitro-benzoate Methyl 5-chloranylsulfonyl-2-nitro-benzoate
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Formula C8H6ClNO6S
InChI InChI=1S/C8H6ClNO6S/c1-16-8(11)6-4-5(17(9,14)15)2-3-7(6)10(12)13/h2-4H,1H3
InChIKey UTRAEMCZXKAYQH-UHFFFAOYSA-N
Molecular Weight 279.650 g/mol
SMILES COC(=O)c1cc(ccc1[N+]([O-])=O)S(Cl)(=O)=O
SPLASH splash10-0002-9270000000-496247368eabbc0aa0cf
Source of Spectrum JX-2015-2-906
Wiley ID 1722596