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2-[3,4-bis(Benzyloxy)-5-methoxyphenyl]ethanamine oxalate

View entire compound with spectra: 2 NMR

2-[3,4-bis(Benzyloxy)-5-methoxyphenyl]ethanamine oxalate
SpectraBase Compound ID Ary9vPZhQ2i
InChI InChI=1S/C23H25NO3.C2H2O4/c1-25-21-14-20(12-13-24)15-22(26-16-18-8-4-2-5-9-18)23(21)27-17-19-10-6-3-7-11-19;3-1(4)2(5)6/h2-11,14-15H,12-13,16-17,24H2,1H3;(H,3,4)(H,5,6)
InChIKey RVRIRCLGKKCOPS-UHFFFAOYSA-N
Mol Weight 453.49 g/mol
Molecular Formula C25H27NO7
Exact Mass 453.178752 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1b3bjbWl7Kw
Name 2-[3,4-bis(Benzyloxy)-5-methoxyphenyl]ethanamine oxalate
Comments Computed using HOSE algorithm
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Exact Mass 453.178752206 u
Formula C25H27NO7
InChI InChI=1S/C23H25NO3.C2H2O4/c1-25-21-14-20(12-13-24)15-22(26-16-18-8-4-2-5-9-18)23(21)27-17-19-10-6-3-7-11-19;3-1(4)2(5)6/h2-11,14-15H,12-13,16-17,24H2,1H3;(H,3,4)(H,5,6)
InChIKey RVRIRCLGKKCOPS-UHFFFAOYSA-N
Molecular Weight 453.491 g/mol
SMILES OC(C(=O)O)=O.NCCC=1C=C(C(=C(C1)OC)OCC1=CC=CC=C1)OCC=1C=CC=CC1