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2C-ip N,N-bis(3-Methylbenzyl)

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

2C-ip N,N-bis(3-Methylbenzyl)
SpectraBase Compound ID 2SmYJ9z1R80
InChI InChI=1S/C29H37NO2/c1-21(2)27-18-28(31-5)26(17-29(27)32-6)13-14-30(19-24-11-7-9-22(3)15-24)20-25-12-8-10-23(4)16-25/h7-12,15-18,21H,13-14,19-20H2,1-6H3
InChIKey PJCMFBGDVSEULL-UHFFFAOYSA-N
Mol Weight 431.6 g/mol
Molecular Formula C29H37NO2
Exact Mass 431.282429 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 27MyIwy7eXx
Name 2C-ip N,N-bis(3-Methylbenzyl)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.282429433 u
Formula C29H37NO2
InChI InChI=1S/C29H37NO2/c1-21(2)27-18-28(31-5)26(17-29(27)32-6)13-14-30(19-24-11-7-9-22(3)15-24)20-25-12-8-10-23(4)16-25/h7-12,15-18,21H,13-14,19-20H2,1-6H3
InChIKey PJCMFBGDVSEULL-UHFFFAOYSA-N
Molecular Weight 431.620 g/mol
SMILES C=1(C(=CC(=C(C1)OC)C(C)C)OC)CCN(CC1=CC(=CC=C1)C)CC1=CC(=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907043