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3-Methylidene-1-(6-nitro-1,3-benzodioxol-5-yl)pentane-1,5-diol
SpectraBase Compound ID KQMCJtfGuNJ
InChI InChI=1S/C13H15NO6/c1-8(2-3-15)4-11(16)9-5-12-13(20-7-19-12)6-10(9)14(17)18/h5-6,11,15-16H,1-4,7H2
InChIKey DSBSIXQLOXZWAV-UHFFFAOYSA-N
Mol Weight 281.26 g/mol
Molecular Formula C13H15NO6
Exact Mass 281.089937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 27lBTi8ZcW
Name 3-Methylidene-1-(6-nitro-1,3-benzodioxol-5-yl)pentane-1,5-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO6
InChI InChI=1S/C13H15NO6/c1-8(2-3-15)4-11(16)9-5-12-13(20-7-19-12)6-10(9)14(17)18/h5-6,11,15-16H,1-4,7H2
InChIKey DSBSIXQLOXZWAV-UHFFFAOYSA-N
Molecular Weight 281.264 g/mol
SMILES OCCC(CC(c1c(N(=O)=O)cc2c(OCO2)c1)O)=C
SPLASH splash10-084j-4900000000-fcbeacc3090bf08177b1
Source of Spectrum U1-2011-6466-4g
Wiley ID 1703072