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5-bromanyl-6-[[(E)-3-nitroprop-2-enoxy]methyl]-1,3-benzodioxole
SpectraBase Compound ID XilJBhTenf
InChI InChI=1S/C11H10BrNO5/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 MLFRYNXYNRRLRL-OWOJBTEDSA-N
Mol Weight 316.11 g/mol
Molecular Formula C11H10BrNO5
Exact Mass 314.974235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJZtQ7y28ZI
Name 5-bromanyl-6-[[(E)-3-nitroprop-2-enoxy]methyl]-1,3-benzodioxole
Comments Less than 3 mono-isotopic peaks
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Formula C11H10BrNO5
InChI InChI=1S/C11H10BrNO5/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 MLFRYNXYNRRLRL-OWOJBTEDSA-N
Molecular Weight 316.107 g/mol
SMILES C(\C=C\N(=O)=O)OCc1c(cc2c(c1)OCO2)Br
SPLASH splash10-03xr-0096000000-bb0dfb3056d0920e16f2
Source of Spectrum J-60-1017-6
Synonyms 5-bromo-6-[[(E)-3-nitroallyloxy]methyl]-1,3-benzodioxole 5-bromo-6-[[(E)-3-nitroprop-2-enoxy]methyl]-1,3-benzodioxole
Wiley ID 1315769