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2-[(4-nitrophenyl)thio]acetic acid methyl ester
SpectraBase Compound ID 1GXFQhTUXDX
InChI InChI=1S/C9H9NO4S/c1-14-9(11)6-15-8-4-2-7(3-5-8)10(12)13/h2-5H,6H2,1H3
InChIKey QYSYXPHEBMMRHB-UHFFFAOYSA-N
Mol Weight 227.23 g/mol
Molecular Formula C9H9NO4S
Exact Mass 227.025229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPc1u8NM3EV
Name 2-[(4-nitrophenyl)thio]acetic acid methyl ester
Alternate Name(s) Methyl 2-(4-nitrophenyl)sulfanylacetate Methyl 2-(4-nitrophenyl)sulfanylethanoate Methyl[(4-nitrophenyl)sulfanyl]acetate
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Formula C9H9NO4S
InChI InChI=1S/C9H9NO4S/c1-14-9(11)6-15-8-4-2-7(3-5-8)10(12)13/h2-5H,6H2,1H3
InChIKey QYSYXPHEBMMRHB-UHFFFAOYSA-N
Molecular Weight 227.234 g/mol
SMILES c1(N(=O)=O)ccc(SCC(=O)OC)cc1
SPLASH splash10-00or-0970000000-ae42e359ba7a814fcd88
Source of Spectrum B-47-1641-0
Wiley ID 1228366