SpectraBase Spectrum ID |
KxLvcO8DW7E |
Name |
Trans-3,3'-bis[(diethylamino)methyl]-alpha,alpha'-diethyl-4,4'-stilbenediol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
438.324628598 u |
Formula |
C28H42N2O2 |
InChI |
InChI=1S/C28H42N2O2/c1-7-25(21-13-15-27(31)23(17-21)19-29(9-3)10-4)26(8-2)22-14-16-28(32)24(18-22)20-30(11-5)12-6/h13-18,31-32H,7-12,19-20H2,1-6H3/b26-25+ |
InChIKey |
QFNJFVBKASKGEU-OCEACIFDSA-N |
Molecular Weight |
438.656 g/mol |
SMILES |
OC=1C(=CC(\C(=C\(C=2C=CC(=C(C2)CN(CC)CC)O)CC)CC)=CC1)CN(CC)CC |
Spectrum/Structure Validation Score (Raman) |
0.810559 |