SpectraBase Spectrum ID |
CGKLNhxrq5t |
Name |
2,6-bis[(1E,3Z)-4-(Dimethylamino)-3-phenyl-buta-1,3-dienyl]pyran-4-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
438.230728212 u |
Formula |
C29H30N2O2 |
InChI |
InChI=1S/C29H30N2O2/c1-30(2)21-25(23-11-7-5-8-12-23)15-17-28-19-27(32)20-29(33-28)18-16-26(22-31(3)4)24-13-9-6-10-14-24/h5-22H,1-4H3/b17-15+,18-16+,25-21-,26-22- |
InChIKey |
DXPHKAJKPUKBMN-YCCRPKEBSA-N |
Molecular Weight |
438.571 g/mol |
SMILES |
CN(\C=C\(\C=C\C1=CC(=O)C=C(O1)\C=C\C(=C\N(C)C)C=1C=CC=CC1)C1=CC=CC=C1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970555 |