| SpectraBase Spectrum ID |
GRfbaG3QH9x |
| Name |
2-(1,3-Dibenzyl-1,3-diazinan-2-yl)-4-nitrophenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.189591674 u |
| Formula |
C24H25N3O3 |
| InChI |
InChI=1S/C24H25N3O3/c28-23-13-12-21(27(29)30)16-22(23)24-25(17-19-8-3-1-4-9-19)14-7-15-26(24)18-20-10-5-2-6-11-20/h1-6,8-13,16,24,28H,7,14-15,17-18H2 |
| InChIKey |
LYJQWKKEMHCPTI-UHFFFAOYSA-N |
| Molecular Weight |
403.482 g/mol |
| SMILES |
C=1(C2N(CC=3C=CC=CC3)CCCN2CC2=CC=CC=C2)C=C(N(=O)=O)C=CC1O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947756 |
