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4'-Benzyloxy-2,5-acetoxy-3,3'-dimethoxydiphenyl-ethane

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

4'-Benzyloxy-2,5-acetoxy-3,3'-dimethoxydiphenyl-ethane
SpectraBase Compound ID 37q2m6fH0iN
InChI InChI=1S/C27H28O7/c1-18(28)33-23-15-22(27(34-19(2)29)26(16-23)31-4)12-10-20-11-13-24(25(14-20)30-3)32-17-21-8-6-5-7-9-21/h5-9,11,13-16H,10,12,17H2,1-4H3
InChIKey MWJSAASXFXMWSI-UHFFFAOYSA-N
Mol Weight 464.51 g/mol
Molecular Formula C27H28O7
Exact Mass 464.183503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID bHVWmzWWSF
Name 4'-Benzyloxy-2,5-acetoxy-3,3'-dimethoxydiphenyl-ethane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.183503235 u
Formula C27H28O7
InChI InChI=1S/C27H28O7/c1-18(28)33-23-15-22(27(34-19(2)29)26(16-23)31-4)12-10-20-11-13-24(25(14-20)30-3)32-17-21-8-6-5-7-9-21/h5-9,11,13-16H,10,12,17H2,1-4H3
InChIKey MWJSAASXFXMWSI-UHFFFAOYSA-N
Molecular Weight 464.514 g/mol
SMILES C=1(C(=CC(=CC1CCC=1C=C(OC)C(=CC1)OCC1=CC=CC=C1)OC(=O)C)OC)OC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968261