SpectraBase Spectrum ID |
Lj23C2sxspA |
Name |
4ah-Pyrano[3,2-C:5,6-C']dipyridin-4A-ol, dodecahydro-2,8-dimethyl-10-phenyl-6-(phenylmethylene)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
404.246378276 u |
Formula |
C26H32N2O2 |
InChI |
InChI=1S/C26H32N2O2/c1-27-14-13-26(29)23(18-27)24(20-11-7-4-8-12-20)22-17-28(2)16-21(25(22)30-26)15-19-9-5-3-6-10-19/h3-12,15,22-25,29H,13-14,16-18H2,1-2H3/b21-15+ |
InChIKey |
VMRMBBSJQMQRBC-RCCKNPSSSA-N |
Molecular Weight |
404.554 g/mol |
SMILES |
CN1CCC2(O)OC3C(CN(C)C\C3=C\C3=CC=CC=C3)C(C2C1)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937597 |