SpectraBase Spectrum ID |
KhWkds9JpeF |
Name |
6,7-Dimethoxy-2-methyl-3-phytyl-4[1H]-quinolone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
497.386894503 u |
Formula |
C32H51NO3 |
InChI |
InChI=1S/C32H51NO3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)18-19-27-26(6)33-29-21-31(36-8)30(35-7)20-28(29)32(27)34/h18,20-24H,9-17,19H2,1-8H3,(H,33,34)/b25-18+ |
InChIKey |
SNFWOVYWOJVLME-XIEYBQDHSA-N |
Molecular Weight |
497.764 g/mol |
SMILES |
C1=C(C(=CC2=C1C(C(=C(N2)C)C\C=C\(CCCC(CCCC(CCCC(C)C)C)C)C)=O)OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977963 |