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Benzoic acid, 4-(chlorosulfonyl)-2-nitro-, methyl ester
SpectraBase Compound ID Hj0S5hEpSkG
InChI InChI=1S/C8H6ClNO6S/c1-16-8(11)6-3-2-5(17(9,14)15)4-7(6)10(12)13/h2-4H,1H3
InChIKey DDBXBJADABRSSO-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 DYtu0o2fdkD
Name Benzoic acid, 4-(chlorosulfonyl)-2-nitro-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6ClNO6S
InChI InChI=1S/C8H6ClNO6S/c1-16-8(11)6-3-2-5(17(9,14)15)4-7(6)10(12)13/h2-4H,1H3
InChIKey DDBXBJADABRSSO-UHFFFAOYSA-N
Molecular Weight 279.650 g/mol
SMILES COC(=O)c1ccc(cc1[N+]([O-])=O)S(Cl)(=O)=O
SPLASH splash10-0f92-8290000000-b3033fe433236c89b61c
Source of Spectrum JX-2015-2-907
Synonyms Methyl 4-(chlorosulfonyl)-2-nitrobenzoate 4-Chlorosulfonyl-2-nitrobenzoic acid methyl ester Methyl 4-chlorosulfonyl-2-nitrobenzoate Methyl 4-chlorosulfonyl-2-nitro-benzoate Methyl 4-chloranylsulfonyl-2-nitro-benzoate
Wiley ID 1722597