| SpectraBase Spectrum ID |
6ntfhxmLoZh |
| Name |
cp N,N-bis(4-Chlorobenzyl) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
485.152449195 u |
| Formula |
C27H29Cl2NO3 |
| InChI |
InChI=1S/C27H29Cl2NO3/c1-31-25-15-21(16-26(32-2)27(25)33-24-11-12-24)13-14-30(17-19-3-7-22(28)8-4-19)18-20-5-9-23(29)10-6-20/h3-10,15-16,24H,11-14,17-18H2,1-2H3 |
| InChIKey |
BHLNQCUPZQGYDZ-UHFFFAOYSA-N |
| Molecular Weight |
486.439 g/mol |
| SMILES |
C1(=C(C=C(C=C1OC)CCN(CC=1C=CC(=CC1)Cl)CC=1C=CC(=CC1)Cl)OC)OC1CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86704 |
