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.alpha.-(Benzylamino)-.gamma.-hydroxybutyric-N-(4'-chlorobenzyl)

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

.alpha.-(Benzylamino)-.gamma.-hydroxybutyric-N-(4'-chlorobenzyl)
SpectraBase Compound ID 3BMoFtevXWw
InChI InChI=1S/C18H21ClN2O2/c19-16-8-6-15(7-9-16)13-21-18(23)17(10-11-22)20-12-14-4-2-1-3-5-14/h1-9,17,20,22H,10-13H2,(H,21,23)
InChIKey YMOMQOQFDNFRPK-UHFFFAOYSA-N
Mol Weight 332.83 g/mol
Molecular Formula C18H21ClN2O2
Exact Mass 332.129156 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IeboFbcUXlV
Name .alpha.-(Benzylamino)-.gamma.-hydroxybutyric-N-(4'-chlorobenzyl)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.129155622 u
Formula C18H21ClN2O2
InChI InChI=1S/C18H21ClN2O2/c19-16-8-6-15(7-9-16)13-21-18(23)17(10-11-22)20-12-14-4-2-1-3-5-14/h1-9,17,20,22H,10-13H2,(H,21,23)
InChIKey YMOMQOQFDNFRPK-UHFFFAOYSA-N
Molecular Weight 332.831 g/mol
SMILES C(NCC1=CC=C(C=C1)Cl)(C(NCC=1C=CC=CC1)CCO)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.800932