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2-[(3-iso-Propoxy-4-nitrophenyl)thio]benzoic acid
SpectraBase Compound ID EPRkrwK3lU5
InChI InChI=1S/C16H15NO5S/c1-10(2)22-14-9-11(7-8-13(14)17(20)21)23-15-6-4-3-5-12(15)16(18)19/h3-10H,1-2H3,(H,18,19)
InChIKey WDRMHKBDOHHQOG-UHFFFAOYSA-N
Mol Weight 333.36 g/mol
Molecular Formula C16H15NO5S
Exact Mass 333.067094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IUZ94YaGMuQ
Name 2-[(3-iso-Propoxy-4-nitrophenyl)thio]benzoic acid
Alternate Name(s) 2-((3-isopropoxy-4-nitrophenyl)thio)benzoic acid
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Formula C16H15NO5S
InChI InChI=1S/C16H15NO5S/c1-10(2)22-14-9-11(7-8-13(14)17(20)21)23-15-6-4-3-5-12(15)16(18)19/h3-10H,1-2H3,(H,18,19)
InChIKey WDRMHKBDOHHQOG-UHFFFAOYSA-N
Molecular Weight 333.358 g/mol
SMILES OC(c1c(Sc2ccc([N+](=O)[O-])c(OC(C)C)c2)cccc1)=O
SPLASH splash10-007x-0976000000-b52ded0abe9a204259d3
Source of Spectrum ACI-53-SMS5-17
Wiley ID 1782208