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N-(4-Propylbenzyl)-1-(4-methoxy-3-methylphenyl)propan-2-amine

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

N-(4-Propylbenzyl)-1-(4-methoxy-3-methylphenyl)propan-2-amine
SpectraBase Compound ID Bh8ogQMUbAL
InChI InChI=1S/C21H29NO/c1-5-6-18-7-9-19(10-8-18)15-22-17(3)14-20-11-12-21(23-4)16(2)13-20/h7-13,17,22H,5-6,14-15H2,1-4H3
InChIKey UKWXCSZZZXVOJD-UHFFFAOYSA-N
Mol Weight 311.47 g/mol
Molecular Formula C21H29NO
Exact Mass 311.224915 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6TY9a0zlghP
Name N-(4-Propylbenzyl)-1-(4-methoxy-3-methylphenyl)propan-2-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.224914557 u
Formula C21H29NO
InChI InChI=1S/C21H29NO/c1-5-6-18-7-9-19(10-8-18)15-22-17(3)14-20-11-12-21(23-4)16(2)13-20/h7-13,17,22H,5-6,14-15H2,1-4H3
InChIKey UKWXCSZZZXVOJD-UHFFFAOYSA-N
Molecular Weight 311.469 g/mol
SMILES C1(CC(NCC2=CC=C(C=C2)CCC)C)=CC(=C(C=C1)OC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931434