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1,2-bis(4,4'-Dimethoxytrityloxy)propane

View entire compound with spectra: 1 NMR, and 1 FTIR

1,2-bis(4,4'-Dimethoxytrityloxy)propane
SpectraBase Compound ID 82s8lRiHta7
InChI InChI=1S/C45H44O6/c1-33(51-45(35-14-10-7-11-15-35,38-20-28-42(48-4)29-21-38)39-22-30-43(49-5)31-23-39)32-50-44(34-12-8-6-9-13-34,36-16-24-40(46-2)25-17-36)37-18-26-41(47-3)27-19-37/h6-31,33H,32H2,1-5H3
InChIKey XCDGMOUUGXANBQ-UHFFFAOYSA-N
Mol Weight 680.8 g/mol
Molecular Formula C45H44O6
Exact Mass 680.313789 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 72RBQFujPiR
Name 1,2-bis(4,4'-Dimethoxytrityloxy)propane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 680.313789131 u
Formula C45H44O6
InChI InChI=1S/C45H44O6/c1-33(51-45(35-14-10-7-11-15-35,38-20-28-42(48-4)29-21-38)39-22-30-43(49-5)31-23-39)32-50-44(34-12-8-6-9-13-34,36-16-24-40(46-2)25-17-36)37-18-26-41(47-3)27-19-37/h6-31,33H,32H2,1-5H3
InChIKey XCDGMOUUGXANBQ-UHFFFAOYSA-N
SMILES CC(COC(C1=CC=C(C=C1)OC)(C1=CC=CC=C1)C1=CC=C(C=C1)OC)OC(C1=CC=C(C=C1)OC)(C1=CC=C(C=C1)OC)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931538