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5-Iodo-1,3-benzodioxole
SpectraBase Compound ID 4je3E42WLcg
InChI InChI=1S/C7H5IO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H2
InChIKey NMMCBIXYIYQHCP-UHFFFAOYSA-N
Mol Weight 248.02 g/mol
Molecular Formula C7H5IO2
Exact Mass 247.933424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GiPZ7cFxTIS
Name 5-Iodo-1,3-benzodioxole
CAS Registry Number 5876-51-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5IO2
InChI InChI=1S/C7H5IO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H2
InChIKey NMMCBIXYIYQHCP-UHFFFAOYSA-N
Molecular Weight 248.019 g/mol
SMILES c12cc(I)ccc2OCO1
SPLASH splash10-0002-4190000000-232aff6de155f41dfce3
Source of Spectrum J-59-5666-11
Synonyms 1-Iodo-3,4-methylenedioxybenzene 5-Iodanyl-1,3-benzodioxole 5-Iodobenzo[d][1,3]dioxole
Wiley ID 1250360