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Benzeneethanamine, 4,5-dibenzyloxy-2-chloro-.beta.-hydroxy-

View entire compound with spectra: 1 FTIR

Benzeneethanamine, 4,5-dibenzyloxy-2-chloro-.beta.-hydroxy-
SpectraBase Compound ID KuJBpsappuL
InChI InChI=1S/C22H22ClNO3/c23-19-12-22(27-15-17-9-5-2-6-10-17)21(11-18(19)20(25)13-24)26-14-16-7-3-1-4-8-16/h1-12,20,25H,13-15,24H2
InChIKey ICBJALTYVDMZBU-UHFFFAOYSA-N
Mol Weight 383.88 g/mol
Molecular Formula C22H22ClNO3
Exact Mass 383.128821 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fh795NgVH0a
Name Benzeneethanamine, 4,5-dibenzyloxy-2-chloro-.beta.-hydroxy-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.128821269 u
Formula C22H22ClNO3
InChI InChI=1S/C22H22ClNO3/c23-19-12-22(27-15-17-9-5-2-6-10-17)21(11-18(19)20(25)13-24)26-14-16-7-3-1-4-8-16/h1-12,20,25H,13-15,24H2
InChIKey ICBJALTYVDMZBU-UHFFFAOYSA-N
Molecular Weight 383.875 g/mol
SMILES C1(=C(C=C(C(=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)C(CN)O)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875445