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Benzenesulfonic acid, 3-methyl-4-nitro-, 4-nitrophenyl ester
SpectraBase Compound ID 9IQg0Gdkb1J
InChI InChI=1S/C13H10N2O7S/c1-9-8-12(6-7-13(9)15(18)19)23(20,21)22-11-4-2-10(3-5-11)14(16)17/h2-8H,1H3
InChIKey KIRYSRXVFYTCMM-UHFFFAOYSA-N
Mol Weight 338.29 g/mol
Molecular Formula C13H10N2O7S
Exact Mass 338.020872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iz7FaP7Aqn7
Name Benzenesulfonic acid, 3-methyl-4-nitro-, 4-nitrophenyl ester
Alternate Name(s) 4-Nitrophenyl 3-methyl-4-nitrobenzenesulfonate p-Nitro-phenol (p-nitro-3-methyl)phenyl sulfonate p-Nitrophenyl (p-nitro-3-methyl)phenyl-sulfonate 3-Methyl-4-nitrobenzenesulfonic acid (4-nitrophenyl) ester (4-nitrophenyl) 3-methyl-4-nitrobenzenesulfonate (4-nitrophenyl) 3-methyl-4-nitro-benzenesulfonate
CAS Registry Number 129976-42-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N2O7S
InChI InChI=1S/C13H10N2O7S/c1-9-8-12(6-7-13(9)15(18)19)23(20,21)22-11-4-2-10(3-5-11)14(16)17/h2-8H,1H3
InChIKey KIRYSRXVFYTCMM-UHFFFAOYSA-N
Molecular Weight 338.290 g/mol
SMILES c1(S(Oc2ccc(N(=O)=O)cc2)(=O)=O)cc(C)c(N(=O)=O)cc1
SPLASH splash10-0f79-0793000000-3769117b6201ffc2df62
Source of Spectrum I-68-1454-5
Wiley ID 1333390