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1-{4-Methoxy-3-chloro-6-[2-[3-(2'-methoxy-3'-chloro-5'-formylphenyl)-4-methoxyphenyl]ethyl]phenyl}-2-methoxybenzene-4-methanol
SpectraBase Compound ID DGc805JSX7d
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
Mol Weight 581.5 g/mol
Molecular Formula C32H30Cl2O6
Exact Mass 580.141944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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