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N-Trans-4-o-methylferuloyl-3',4'-o-methyl-dopamine

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

N-Trans-4-o-methylferuloyl-3',4'-o-methyl-dopamine
SpectraBase Compound ID 3XAeAFxZZa
InChI InChI=1S/C21H25NO5/c1-24-17-8-5-15(13-19(17)26-3)7-10-21(23)22-12-11-16-6-9-18(25-2)20(14-16)27-4/h5-10,13-14H,11-12H2,1-4H3,(H,22,23)/b10-7+
InChIKey OZNUPWACHHUIKC-JXMROGBWSA-N
Mol Weight 371.43 g/mol
Molecular Formula C21H25NO5
Exact Mass 371.173273 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID yT9YQlsawU
Name N-Trans-4-o-methylferuloyl-3',4'-o-methyl-dopamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.173272904 u
Formula C21H25NO5
InChI InChI=1S/C21H25NO5/c1-24-17-8-5-15(13-19(17)26-3)7-10-21(23)22-12-11-16-6-9-18(25-2)20(14-16)27-4/h5-10,13-14H,11-12H2,1-4H3,(H,22,23)/b10-7+
InChIKey OZNUPWACHHUIKC-JXMROGBWSA-N
Molecular Weight 371.433 g/mol
SMILES C=1(OC)C=CC(=CC1OC)\C=C\C(=O)NCCC1=CC(OC)=C(OC)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951249