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Benzenenethanamine, N-acetyl-3-benzyloxy-4-methoxy-

View entire compound with spectra: 1 NMR, and 1 FTIR

Benzenenethanamine, N-acetyl-3-benzyloxy-4-methoxy-
SpectraBase Compound ID 9yMWfOVVnZL
InChI InChI=1S/C18H21NO3/c1-14(20)19-11-10-15-8-9-17(21-2)18(12-15)22-13-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,19,20)
InChIKey DEDVNVYYSDSJKN-UHFFFAOYSA-N
Mol Weight 299.37 g/mol
Molecular Formula C18H21NO3
Exact Mass 299.152144 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LviS02ivcDV
Name Benzenenethanamine, N-acetyl-3-benzyloxy-4-methoxy-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.152143537 u
Formula C18H21NO3
InChI InChI=1S/C18H21NO3/c1-14(20)19-11-10-15-8-9-17(21-2)18(12-15)22-13-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,19,20)
InChIKey DEDVNVYYSDSJKN-UHFFFAOYSA-N
SMILES C1(OCC2=CC=CC=C2)=CC(=CC=C1OC)CCNC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949532