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2-[2-Hydroxy-3-(tert-pentylamino)propoxy]benzonitrile, methyl ether

View entire compound with spectra: 1 FTIR

2-[2-Hydroxy-3-(tert-pentylamino)propoxy]benzonitrile, methyl ether
SpectraBase Compound ID CWdtchqqrbt
InChI InChI=1S/C16H24N2O2/c1-5-16(2,3)18-11-14(19-4)12-20-15-9-7-6-8-13(15)10-17/h6-9,14,18H,5,11-12H2,1-4H3
InChIKey WMJYJTWGVJMZJX-UHFFFAOYSA-N
Mol Weight 276.38 g/mol
Molecular Formula C16H24N2O2
Exact Mass 276.183778 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Lvc6JNsSI7H
Name 2-[2-Hydroxy-3-(tert-pentylamino)propoxy]benzonitrile, methyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.183778019 u
Formula C16H24N2O2
InChI InChI=1S/C16H24N2O2/c1-5-16(2,3)18-11-14(19-4)12-20-15-9-7-6-8-13(15)10-17/h6-9,14,18H,5,11-12H2,1-4H3
InChIKey WMJYJTWGVJMZJX-UHFFFAOYSA-N
SMILES C(NCC(OC)COC1=C(C=CC=C1)C#N)(CC)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960508