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Phenol, 3-methyl-4-nitro-, benzenesulfonate (ester)
SpectraBase Compound ID DnSZd4RbRer
InChI InChI=1S/C13H11NO5S/c1-10-9-11(7-8-13(10)14(15)16)19-20(17,18)12-5-3-2-4-6-12/h2-9H,1H3
InChIKey ZKWWMHYMRHKZLM-UHFFFAOYSA-N
Mol Weight 293.29 g/mol
Molecular Formula C13H11NO5S
Exact Mass 293.035794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMY39lHf5WW
Name Phenol, 3-methyl-4-nitro-, benzenesulfonate (ester)
CAS Registry Number 129976-46-1
Comments Less than 3 mono-isotopic peaks
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Formula C13H11NO5S
InChI InChI=1S/C13H11NO5S/c1-10-9-11(7-8-13(10)14(15)16)19-20(17,18)12-5-3-2-4-6-12/h2-9H,1H3
InChIKey ZKWWMHYMRHKZLM-UHFFFAOYSA-N
Molecular Weight 293.293 g/mol
SMILES c1(OS(=O)(=O)c2ccccc2)cc(C)c(N(=O)=O)cc1
SPLASH splash10-004i-9000000000-ce7e44cafb898f770a13
Source of Spectrum I-68-1454-0
Synonyms 3-methyl-4-nitrophenyl benzenesulfonate p-Nitro-m-methylphenyl benzenesulfonate
Wiley ID 1296171