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methanesulfonic acid, p-nitrophenyl ester

View entire compound with spectra: 3 NMR, 2 FTIR, 1 Raman, and 4 MS (GC)

methanesulfonic acid, p-nitrophenyl ester
SpectraBase Compound ID H73VeZaHZBf
InChI InChI=1S/C7H7NO5S/c1-13-14(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
InChIKey RMNJNEUWTBBZPT-UHFFFAOYSA-N
Mol Weight 217.19 g/mol
Molecular Formula C7H7NO5S
Exact Mass 217.004493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9H8sksu4hWS
Name Methyl-4-nitrobenzenesulfonate
Alternate Name(s) 4-Nitrobenzenesulfonic acid methyl ester Benzenesulfonic acid, 4-nitro-, methyl ester Benzenesulfonic acid, p-nitro-, methyl ester Methyl 4-nitrobenzenesulphonate Methyl p-nitrobenzenesulfonate Methyl para-nitrobenzenesulfonate EINECS 228-282-2
CAS Registry Number 6214-20-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7NO5S
InChI InChI=1S/C7H7NO5S/c1-13-14(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
InChIKey RMNJNEUWTBBZPT-UHFFFAOYSA-N
Molecular Weight 217.195 g/mol
SMILES c1(S(=O)(OC)=O)ccc(cc1)N(=O)=O
SPLASH splash10-00b9-9310000000-523a5c642bbe61f0a8c2
Wiley ID 1488662