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Dimethyl [1-(2,6-dimethoxybenzyl)-2-nitroethyl]malonate
SpectraBase Compound ID PKCSqzeuw3
InChI InChI=1S/C16H21NO8/c1-22-12-6-5-7-13(23-2)11(12)8-10(9-17(20)21)14(15(18)24-3)16(19)25-4/h5-7,10,14H,8-9H2,1-4H3
InChIKey RNZZIRRNVILQAE-UHFFFAOYSA-N
Mol Weight 355.34 g/mol
Molecular Formula C16H21NO8
Exact Mass 355.126717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdpcM9KiuTo
Name Dimethyl [1-(2,6-dimethoxybenzyl)-2-nitroethyl]malonate
Appearance Yellowish oil
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Exact Mass 355.126716632 u
Formula C16H21NO8
InChI InChI=1S/C16H21NO8/c1-22-12-6-5-7-13(23-2)11(12)8-10(9-17(20)21)14(15(18)24-3)16(19)25-4/h5-7,10,14H,8-9H2,1-4H3
InChIKey RNZZIRRNVILQAE-UHFFFAOYSA-N
Instrument Name Finnigan MAT TSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201504593
Molecular Weight 355.343 g/mol
Quality 124
SMILES C1=C(C(CC(C(C(OC)=O)C(OC)=O)C[N+]([O-])=O)=C(C=C1)OC)OC
SPLASH splash10-0fbc-1910000000-e75e67a3083663bbc2e7
Source of Spectrum QE-22-SM9-2g (DOI: 10.1002/chem.201504593)
Thin-Layer Chromatography 0.20 (petroleum ether/diethyl ether, 1:1)
Wiley ID 1902984