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1-Nitro-3-(p-tolylsulfonylmethyl)benzene
SpectraBase Compound ID 3clVrP8p8GC
InChI InChI=1S/C14H13NO4S/c1-11-5-7-14(8-6-11)20(18,19)10-12-3-2-4-13(9-12)15(16)17/h2-9H,10H2,1H3
InChIKey MFLQNOKKOIGWRR-UHFFFAOYSA-N
Mol Weight 291.32 g/mol
Molecular Formula C14H13NO4S
Exact Mass 291.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BWSg1WxtJs7
Name 1-Nitro-3-(p-tolylsulfonylmethyl)benzene
CAS Registry Number 86096-89-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO4S
InChI InChI=1S/C14H13NO4S/c1-11-5-7-14(8-6-11)20(18,19)10-12-3-2-4-13(9-12)15(16)17/h2-9H,10H2,1H3
InChIKey MFLQNOKKOIGWRR-UHFFFAOYSA-N
Molecular Weight 291.321 g/mol
SMILES c1(S(Cc2cc(N(=O)=O)ccc2)(=O)=O)ccc(cc1)C
SPLASH splash10-000f-9810000000-15af551eefa13944c886
Source of Spectrum B-36-91-0
Synonyms 1-Nitro-3-(tosylmethyl)benzene 1-[(4-methylphenyl)sulfonylmethyl]-3-nitrobenzene
Wiley ID 1294412