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1',4'-Bis[2-methoxy-4-(methoxycarbonyl)-5-nitrophenoxy]butane

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1',4'-Bis[2-methoxy-4-(methoxycarbonyl)-5-nitrophenoxy]butane
SpectraBase Compound ID F5aPWDO1eGj
InChI InChI=1S/C22H24N2O12/c1-31-17-9-13(21(25)33-3)15(23(27)28)11-19(17)35-7-5-6-8-36-20-12-16(24(29)30)14(22(26)34-4)10-18(20)32-2/h9-12H,5-8H2,1-4H3
InChIKey ALNRFGXDJACEFB-UHFFFAOYSA-N
Mol Weight 508.44 g/mol
Molecular Formula C22H24N2O12
Exact Mass 508.132924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HpqRlzdibjd
Name 1',4'-bis[2-Methoxy-4-(methoxycarbonyl)-5-nitrophenoxy]butane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 508.132924209 u
Formula C22H24N2O12
InChI InChI=1S/C22H24N2O12/c1-31-17-9-13(21(25)33-3)15(23(27)28)11-19(17)35-7-5-6-8-36-20-12-16(24(29)30)14(22(26)34-4)10-18(20)32-2/h9-12H,5-8H2,1-4H3
InChIKey ALNRFGXDJACEFB-UHFFFAOYSA-N
Molecular Weight 508.436 g/mol
SMILES C1(=C(N(=O)=O)C=C(C(=C1)OC)OCCCCOC1=CC(N(=O)=O)=C(C=C1OC)C(=O)OC)C(=O)OC