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Dimethyl [2-(1,3-benzodioxol-5-yl)-1-(nitromethyl)ethyl]malonate
SpectraBase Compound ID GcV1uhu65bP
InChI InChI=1S/C15H17NO8/c1-21-14(17)13(15(18)22-2)10(7-16(19)20)5-9-3-4-11-12(6-9)24-8-23-11/h3-4,6,10,13H,5,7-8H2,1-2H3
InChIKey IUYBJHKAUNLQKY-UHFFFAOYSA-N
Mol Weight 339.3 g/mol
Molecular Formula C15H17NO8
Exact Mass 339.095417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hY19WjWBU
Name Dimethyl [2-(1,3-benzodioxol-5-yl)-1-(nitromethyl)ethyl]malonate
Appearance Yellowish oil
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Exact Mass 339.095416503 u
Formula C15H17NO8
InChI InChI=1S/C15H17NO8/c1-21-14(17)13(15(18)22-2)10(7-16(19)20)5-9-3-4-11-12(6-9)24-8-23-11/h3-4,6,10,13H,5,7-8H2,1-2H3
InChIKey IUYBJHKAUNLQKY-UHFFFAOYSA-N
Instrument Name Finnigan MAT TSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201504593
Molecular Weight 339.300 g/mol
Quality 165
SMILES C1(CC(C(C(OC)=O)C(OC)=O)C[N+]([O-])=O)=CC=C2C(=C1)OCO2
SPLASH splash10-01p9-0910000000-36fa7bfacbb5db971cd3
Source of Spectrum QE-22-SM9-2h (DOI: 10.1002/chem.201504593)
Thin-Layer Chromatography 0.23 (petroleum ether/diethyl ether, 1:1)
Wiley ID 1902985