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1,3-Benzodioxole, 5-[1-(2-furanyl)-2-nitroethyl]-
SpectraBase Compound ID 9qJxV5tP7FF
InChI InChI=1S/C13H11NO5/c15-14(16)7-10(11-2-1-5-17-11)9-3-4-12-13(6-9)19-8-18-12/h1-6,10H,7-8H2
InChIKey BYTYYHMMJYIQNJ-UHFFFAOYSA-N
Mol Weight 261.23 g/mol
Molecular Formula C13H11NO5
Exact Mass 261.063722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gc8ZhnhGZ09
Name 1,3-Benzodioxole, 5-[1-(2-furanyl)-2-nitroethyl]-
Alternate Name(s) 5-[1-(2-furanyl)-2-nitroethyl]-1,3-benzodioxole 5-[1-(2-furyl)-2-nitro-ethyl]-1,3-benzodioxole 5-[1-(furan-2-yl)-2-nitro-ethyl]-1,3-benzodioxole
CAS Registry Number 112616-82-7
Comments Less than 3 mono-isotopic peaks
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Formula C13H11NO5
InChI InChI=1S/C13H11NO5/c15-14(16)7-10(11-2-1-5-17-11)9-3-4-12-13(6-9)19-8-18-12/h1-6,10H,7-8H2
InChIKey BYTYYHMMJYIQNJ-UHFFFAOYSA-N
Molecular Weight 261.233 g/mol
SMILES C(N(=O)=O)C(c1cc2OCOc2cc1)c1occc1
SPLASH splash10-03di-0090000000-a4343e5fe059e4c10917
Source of Spectrum F-43-1121-11
Wiley ID 1264631