SpectraBase Spectrum ID |
Lm2IU20qAq0 |
Name |
1-{4-Methoxy-3-chloro-6-[2-[3-(2'-methoxy-3'-chloro-5'-formylphenyl)-4-methoxyphenyl]ethyl]phenyl}-2-methoxybenzene-4-methanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
580.141944080 u |
Formula |
C32H30Cl2O6 |
InChI |
InChI=1S/C32H30Cl2O6/c1-37-29-10-7-19(11-25(29)26-12-21(18-36)13-28(34)32(26)40-4)5-8-22-15-31(39-3)27(33)16-24(22)23-9-6-20(17-35)14-30(23)38-2/h6-7,9-16,18,35H,5,8,17H2,1-4H3 |
InChIKey |
XNYYLCVSPWWKAV-UHFFFAOYSA-N |
Molecular Weight |
581.492 g/mol |
SMILES |
C=1(C=2C(=CC=C(C2)CCC2=C(C=3C(=CC(=CC3)CO)OC)C=C(C(=C2)OC)Cl)OC)C(=C(Cl)C=C(C1)C=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805631 |