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2,3,11,12-Tetra(2-methoxyphenyl)-1,4,7,10,13,16-hexaoxacyclooctadec-2,11-diene

View entire compound with spectra: 1 FTIR

2,3,11,12-Tetra(2-methoxyphenyl)-1,4,7,10,13,16-hexaoxacyclooctadec-2,11-diene
SpectraBase Compound ID IiRwE4chWz3
InChI InChI=1S/C40H44O10/c1-41-33-17-9-5-13-29(33)37-38(30-14-6-10-18-34(30)42-2)48-26-22-46-24-28-50-40(32-16-8-12-20-36(32)44-4)39(49-27-23-45-21-25-47-37)31-15-7-11-19-35(31)43-3/h5-20H,21-28H2,1-4H3/b38-37-,40-39-
InChIKey IBARHWIWOWFGQG-OZNSGRFJSA-N
Mol Weight 684.8 g/mol
Molecular Formula C40H44O10
Exact Mass 684.293448 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 36I4nK4Ec2T
Name 2,3,11,12-Tetra(2-methoxyphenyl)-1,4,7,10,13,16-hexaoxacyclooctadec-2,11-diene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 684.293447607 u
Formula C40H44O10
InChI InChI=1S/C40H44O10/c1-41-33-17-9-5-13-29(33)37-38(30-14-6-10-18-34(30)42-2)48-26-22-46-24-28-50-40(32-16-8-12-20-36(32)44-4)39(49-27-23-45-21-25-47-37)31-15-7-11-19-35(31)43-3/h5-20H,21-28H2,1-4H3/b38-37-,40-39-
InChIKey IBARHWIWOWFGQG-OZNSGRFJSA-N
SMILES C1O\C(=C\(OCCOCCO\C(=C\(OCCOC1)C1=CC=CC=C1OC)C=1C(OC)=CC=CC1)C1=C(C=CC=C1)OC)C1=C(C=CC=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932798