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2-(3-(Benzyloxy)-4,5-dimethoxyphenyl)ethanaminium carboxyformate

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2-(3-(Benzyloxy)-4,5-dimethoxyphenyl)ethanaminium carboxyformate
SpectraBase Compound ID 68jqQF5hYBs
InChI InChI=1S/C17H21NO3.C2H2O4/c1-19-15-10-14(8-9-18)11-16(17(15)20-2)21-12-13-6-4-3-5-7-13;3-1(4)2(5)6/h3-7,10-11H,8-9,12,18H2,1-2H3;(H,3,4)(H,5,6)
InChIKey FERKFGPZUKOYIZ-UHFFFAOYSA-N
Mol Weight 377.39 g/mol
Molecular Formula C19H23NO7
Exact Mass 377.147452 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6rdIzlXZHCz
Name 2-(3-(Benzyloxy)-4,5-dimethoxyphenyl)ethanaminium carboxyformate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.147452078 u
Formula C19H23NO7
InChI InChI=1S/C17H21NO3.C2H2O4/c1-19-15-10-14(8-9-18)11-16(17(15)20-2)21-12-13-6-4-3-5-7-13;3-1(4)2(5)6/h3-7,10-11H,8-9,12,18H2,1-2H3;(H,3,4)(H,5,6)
InChIKey FERKFGPZUKOYIZ-UHFFFAOYSA-N
Molecular Weight 377.393 g/mol
SMILES OC(C(=O)[O-])=O.C=1(C(OCC=2C=CC=CC2)=CC(=CC1OC)CC[NH3+])OC