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Benzeneethanamine, N-[3,5-dihydroxyphenylacetyl]-3-methoxy-

View entire compound with spectra: 1 NMR, and 1 FTIR

Benzeneethanamine, N-[3,5-dihydroxyphenylacetyl]-3-methoxy-
SpectraBase Compound ID CiLuiQgWRx4
InChI InChI=1S/C17H19NO4/c1-22-16-4-2-3-12(9-16)5-6-18-17(21)10-13-7-14(19)11-15(20)8-13/h2-4,7-9,11,19-20H,5-6,10H2,1H3,(H,18,21)
InChIKey NPOFRXIHVWIZAQ-UHFFFAOYSA-N
Mol Weight 301.34 g/mol
Molecular Formula C17H19NO4
Exact Mass 301.131408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 87EwyFFc1UX
Name Benzeneethanamine, N-[3,5-dihydroxyphenylacetyl]-3-methoxy-
Comments Computed using HOSE algorithm
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Exact Mass 301.131408092 u
Formula C17H19NO4
InChI InChI=1S/C17H19NO4/c1-22-16-4-2-3-12(9-16)5-6-18-17(21)10-13-7-14(19)11-15(20)8-13/h2-4,7-9,11,19-20H,5-6,10H2,1H3,(H,18,21)
InChIKey NPOFRXIHVWIZAQ-UHFFFAOYSA-N
Molecular Weight 301.342 g/mol
SMILES C(NCCC1=CC=CC(=C1)OC)(=O)CC1=CC(=CC(=C1)O)O