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5-iodanyl-6-[[(E)-3-nitroprop-2-enoxy]methyl]-1,3-benzodioxole
SpectraBase Compound ID JGkoSTW6bn6
InChI InChI=1S/C11H10INO5/c12-9-5-11-10(17-7-18-11)4-8(9)6-16-3-1-2-13(14)15/h1-2,4-5H,3,6-7H2/b2-1+
InChIKey NFAWTXPZFHXICE-OWOJBTEDSA-N
Mol Weight 363.11 g/mol
Molecular Formula C11H10INO5
Exact Mass 362.960367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2goTOfXHXw7
Name 5-iodanyl-6-[[(E)-3-nitroprop-2-enoxy]methyl]-1,3-benzodioxole
Comments Less than 3 mono-isotopic peaks
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Formula C11H10INO5
InChI InChI=1S/C11H10INO5/c12-9-5-11-10(17-7-18-11)4-8(9)6-16-3-1-2-13(14)15/h1-2,4-5H,3,6-7H2/b2-1+
InChIKey NFAWTXPZFHXICE-OWOJBTEDSA-N
Molecular Weight 363.107 g/mol
SMILES C(\C=C\N(=O)=O)OCc1c(cc2c(c1)OCO2)I
SPLASH splash10-03di-0095000000-1b490b88d3eee27ac606
Source of Spectrum J-60-1018-9
Synonyms 5-iodo-6-[[(E)-3-nitroallyloxy]methyl]-1,3-benzodioxole 5-iodo-6-[[(E)-3-nitroprop-2-enoxy]methyl]-1,3-benzodioxole
Wiley ID 1350093