| SpectraBase Spectrum ID |
1EgCg4EJaDu |
| Name |
Doip N-(4-chlorobenzyl) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.180856844 u |
| Formula |
C21H28ClNO2 |
| InChI |
InChI=1S/C21H28ClNO2/c1-14(2)19-12-20(24-4)17(11-21(19)25-5)10-15(3)23-13-16-6-8-18(22)9-7-16/h6-9,11-12,14-15,23H,10,13H2,1-5H3 |
| InChIKey |
VUDNEUYPYNECAW-UHFFFAOYSA-N |
| Molecular Weight |
361.913 g/mol |
| SMILES |
C=1(C(=CC(=C(C1)OC)C(C)C)OC)CC(NCC=1C=CC(=CC1)Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9316 |
