| SpectraBase Spectrum ID |
DJ6XNS5Dv27 |
| Name |
cp N,N-bis(4-Methylbenzyl) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.261693988 u |
| Formula |
C29H35NO3 |
| InChI |
InChI=1S/C29H35NO3/c1-21-5-9-23(10-6-21)19-30(20-24-11-7-22(2)8-12-24)16-15-25-17-27(31-3)29(28(18-25)32-4)33-26-13-14-26/h5-12,17-18,26H,13-16,19-20H2,1-4H3 |
| InChIKey |
YETYGFFQJFGCPX-UHFFFAOYSA-N |
| Molecular Weight |
445.603 g/mol |
| SMILES |
C=1(C(=CC(=CC1OC)CCN(CC1=CC=C(C=C1)C)CC=1C=CC(=CC1)C)OC)OC1CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87701 |
