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7-Nitromethyl-8-oxatricyclo[7.4.0.0(3,7)]trideca-9(1),10,12-trien-2-ol
SpectraBase Compound ID HzbyVlMepir
InChI InChI=1S/C13H15NO4/c15-12-9-4-1-2-6-11(9)18-13(8-14(16)17)7-3-5-10(12)13/h1-2,4,6,10,12,15H,3,5,7-8H2
InChIKey YDVWRIHFLVSYRM-UHFFFAOYSA-N
Mol Weight 249.27 g/mol
Molecular Formula C13H15NO4
Exact Mass 249.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 523RmGaIKQu
Name 7-Nitromethyl-8-oxatricyclo[7.4.0.0(3,7)]trideca-9(1),10,12-trien-2-ol
Alternate Name(s) 7-Nitromethyl-8-oxatricyclo[7.4.0.0(3,7)]trideca-9(1),10,12-trien-2-ol isomer 3a-(nitromethyl)-1,2,3,3a,9,9a-hexahydrocyclopenta[b]chromen-9-ol
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Formula C13H15NO4
InChI InChI=1S/C13H15NO4/c15-12-9-4-1-2-6-11(9)18-13(8-14(16)17)7-3-5-10(12)13/h1-2,4,6,10,12,15H,3,5,7-8H2
InChIKey YDVWRIHFLVSYRM-UHFFFAOYSA-N
Molecular Weight 249.266 g/mol
SMILES OC1c2c(OC3(C1CCC3)CN(=O)=O)cccc2
SPLASH splash10-00yi-2960000000-1b512cf8b139f76d73dd
Source of Spectrum O1-57-1045-41
Wiley ID 1591566