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2-[6'-Iodobenzo[1,3]dioxol-5'-yl)propyl 4-nitrobenzenesulfonate
SpectraBase Compound ID CNRiMgczEBE
InChI InChI=1S/C16H14INO7S/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 AAYYTNBKSKNVFY-UHFFFAOYSA-N
Mol Weight 491.25 g/mol
Molecular Formula C16H14INO7S
Exact Mass 490.953568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCUiLpiSdx
Name 2-[6'-Iodobenzo[1,3]dioxol-5'-yl)propyl 4-nitrobenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14INO7S
InChI InChI=1S/C16H14INO7S/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 AAYYTNBKSKNVFY-UHFFFAOYSA-N
Molecular Weight 491.252 g/mol
SMILES C(OS(c1ccc(N(=O)=O)cc1)(=O)=O)C(c1c(cc2c(c1)OCO2)I)C
SPLASH splash10-01ox-0350900000-08fe424ef2c50efa2f96
Source of Spectrum K1-2000-2440-18
Synonyms 2-(6-iodo-1,3-benzodioxol-5-yl)propyl 4-nitrobenzenesulfonate
Wiley ID 750082