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2-[6'-Bromobenzo[1,3]dioxol-5'-yl)propyl 4-nitrobenzenesulfonate
SpectraBase Compound ID EYbzkvJ98rZ
InChI InChI=1S/C16H14BrNO7S/c1-10(13-6-15-16(7-14(13)17)24-9-23-15)8-25-26(21,22)12-4-2-11(3-5-12)18(19)20/h2-7,10H,8-9H2,1H3
InChIKey QUISDJXWKSUSOY-UHFFFAOYSA-N
Mol Weight 444.25 g/mol
Molecular Formula C16H14BrNO7S
Exact Mass 442.967436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VbTU7CwDhk
Name 2-[6'-Bromobenzo[1,3]dioxol-5'-yl)propyl 4-nitrobenzenesulfonate
Alternate Name(s) 2-(6-bromo-1,3-benzodioxol-5-yl)propyl 4-nitrobenzenesulfonate
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Formula C16H14BrNO7S
InChI InChI=1S/C16H14BrNO7S/c1-10(13-6-15-16(7-14(13)17)24-9-23-15)8-25-26(21,22)12-4-2-11(3-5-12)18(19)20/h2-7,10H,8-9H2,1H3
InChIKey QUISDJXWKSUSOY-UHFFFAOYSA-N
Molecular Weight 444.252 g/mol
SMILES C(OS(c1ccc(N(=O)=O)cc1)(=O)=O)C(c1c(cc2c(c1)OCO2)Br)C
SPLASH splash10-0007-0270900000-5d5a754567469b635452
Source of Spectrum K1-2000-2439-18
Wiley ID 750084