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3-Benzylamino-4-benzyloxy-butyronitrile

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

3-Benzylamino-4-benzyloxy-butyronitrile
SpectraBase Compound ID J9MCr1QuotF
InChI InChI=1S/C18H20N2O/c19-12-11-18(20-13-16-7-3-1-4-8-16)15-21-14-17-9-5-2-6-10-17/h1-10,18,20H,11,13-15H2
InChIKey KVZADXYTDRJEOX-UHFFFAOYSA-N
Mol Weight 280.37 g/mol
Molecular Formula C18H20N2O
Exact Mass 280.157563 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J3WiHmJgYhw
Name 3-Benzylamino-4-benzyloxy-butyronitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.157563271 u
Formula C18H20N2O
InChI InChI=1S/C18H20N2O/c19-12-11-18(20-13-16-7-3-1-4-8-16)15-21-14-17-9-5-2-6-10-17/h1-10,18,20H,11,13-15H2
InChIKey KVZADXYTDRJEOX-UHFFFAOYSA-N
SMILES C(#N)CC(NCC=1C=CC=CC1)COCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952089