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1-(Benzyloxy)-3-(3,4-dimethoxyphenethylamino)propan-2-ol

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

1-(Benzyloxy)-3-(3,4-dimethoxyphenethylamino)propan-2-ol
SpectraBase Compound ID GOfKnCDfE4H
InChI InChI=1S/C20H27NO4/c1-23-19-9-8-16(12-20(19)24-2)10-11-21-13-18(22)15-25-14-17-6-4-3-5-7-17/h3-9,12,18,21-22H,10-11,13-15H2,1-2H3
InChIKey YADCBUUITBECGK-UHFFFAOYSA-N
Mol Weight 345.44 g/mol
Molecular Formula C20H27NO4
Exact Mass 345.194008 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B14SF8WCes0
Name 1-(Benzyloxy)-3-(3,4-dimethoxyphenethylamino)propan-2-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.194008349 u
Formula C20H27NO4
InChI InChI=1S/C20H27NO4/c1-23-19-9-8-16(12-20(19)24-2)10-11-21-13-18(22)15-25-14-17-6-4-3-5-7-17/h3-9,12,18,21-22H,10-11,13-15H2,1-2H3
InChIKey YADCBUUITBECGK-UHFFFAOYSA-N
Molecular Weight 345.439 g/mol
SMILES C=1(C(=CC=C(C1)CCNCC(O)COCC=1C=CC=CC1)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977658