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iso-Propyl .alpha.-hydroxy-.alpha.-[2-(5-nitrothiophenyl)]phenylacetate
SpectraBase Compound ID GqrkQi0ndCC
InChI InChI=1S/C15H15NO5S/c1-9(2)21-15(18)14(17)11-6-4-3-5-10(11)12-7-8-13(22-12)16(19)20/h3-9,14,17H,1-2H3
InChIKey CYIQFWUXWVUHJI-UHFFFAOYSA-N
Mol Weight 321.35 g/mol
Molecular Formula C15H15NO5S
Exact Mass 321.067094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ED6Du43fBg7
Name iso-Propyl .alpha.-hydroxy-.alpha.-[2-(5-nitrothiophenyl)]phenylacetate
Alternate Name(s) isopropyl hydroxy[2-(5-nitro-2-thienyl)phenyl]acetate
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Formula C15H15NO5S
InChI InChI=1S/C15H15NO5S/c1-9(2)21-15(18)14(17)11-6-4-3-5-10(11)12-7-8-13(22-12)16(19)20/h3-9,14,17H,1-2H3
InChIKey CYIQFWUXWVUHJI-UHFFFAOYSA-N
Molecular Weight 321.347 g/mol
SMILES OC(C(OC(C)C)=O)c1c(-c2sc(N(=O)=O)cc2)cccc1
SPLASH splash10-0a59-2890000000-7ad6483d8c8cb9695dd1
Source of Spectrum KC-61-11961-4
Wiley ID 1631658