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4-Nitro-3-(toluene-4-sulfonyl)-2,3-dihydrobenzofuran-2-ol
SpectraBase Compound ID F0GE3t72ibw
InChI InChI=1S/C15H13NO6S/c1-9-5-7-10(8-6-9)23(20,21)14-13-11(16(18)19)3-2-4-12(13)22-15(14)17/h2-8,14-15,17H,1H3/t14-,15-/m1/s1
InChIKey XIOWNEOEGHGCGD-HUUCEWRRSA-N
Mol Weight 335.33 g/mol
Molecular Formula C15H13NO6S
Exact Mass 335.046358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gUWVvVAbg
Name 4-Nitro-3-(toluene-4-sulfonyl)-2,3-dihydrobenzofuran-2-ol
Alternate Name(s) (2R,3R)-4-Nitro-3-(toluene-4-sulfonyl)-2,3-dihydro-benzofuran-2-ol 3-[(4-methylphenyl)sulfonyl]-4-nitro-2,3-dihydro-1-benzofuran-2-ol
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Formula C15H13NO6S
InChI InChI=1S/C15H13NO6S/c1-9-5-7-10(8-6-9)23(20,21)14-13-11(16(18)19)3-2-4-12(13)22-15(14)17/h2-8,14-15,17H,1H3/t14-,15-/m1/s1
InChIKey XIOWNEOEGHGCGD-HUUCEWRRSA-N
Molecular Weight 335.330 g/mol
SMILES O[C@]1([C@](S(c2ccc(cc2)C)(=O)=O)(c2c(cccc2N(=O)=O)O1)[H])[H]
SPLASH splash10-067u-6903000000-33cb2c53f518085646c1
Source of Spectrum F-54-6814-3
Wiley ID 807609