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Benzenesulfonic acid, 4-nitro-, [(4-methylphenyl)sulfonyl]methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Benzenesulfonic acid, 4-nitro-, [(4-methylphenyl)sulfonyl]methyl ester
SpectraBase Compound ID IOLJVySgbiN
InChI InChI=1S/C14H13NO7S2/c1-11-2-6-13(7-3-11)23(18,19)10-22-24(20,21)14-8-4-12(5-9-14)15(16)17/h2-9H,10H2,1H3
InChIKey YCZFYEXRDGVUNS-UHFFFAOYSA-N
Mol Weight 371.38 g/mol
Molecular Formula C14H13NO7S2
Exact Mass 371.013344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AFPihOnsXXo
Name Benzenesulfonic acid, 4-nitro-, [(4-methylphenyl)sulfonyl]methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.013344104 u
Formula C14H13NO7S2
InChI InChI=1S/C14H13NO7S2/c1-11-2-6-13(7-3-11)23(18,19)10-22-24(20,21)14-8-4-12(5-9-14)15(16)17/h2-9H,10H2,1H3
InChIKey YCZFYEXRDGVUNS-UHFFFAOYSA-N
Molecular Weight 371.378 g/mol
SMILES C1(S(OCS(=O)(=O)C2=CC=C(C=C2)C)(=O)=O)=CC=C(C=C1)N(=O)=O