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bis(Benzyl) 3'-[(benzyloxy)methyl]-5',5'-dimethylhexane-2',4'-diyl diether

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

bis(Benzyl) 3'-[(benzyloxy)methyl]-5',5'-dimethylhexane-2',4'-diyl diether
SpectraBase Compound ID C1gEOeHnpOP
InChI InChI=1S/C30H38O3/c1-30(2,3)29(32)27(22-33-21-25-17-11-6-12-18-25)28(31)26(19-23-13-7-4-8-14-23)20-24-15-9-5-10-16-24/h4-18,26-29,31-32H,19-22H2,1-3H3
InChIKey IZXBMTGPOFEHEE-UHFFFAOYSA-N
Mol Weight 446.6 g/mol
Molecular Formula C30H38O3
Exact Mass 446.282095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4mRDEwp2SdC
Name bis(Benzyl) 3'-[(benzyloxy)methyl]-5',5'-dimethylhexane-2',4'-diyl diether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.282095081 u
Formula C30H38O3
InChI InChI=1S/C30H38O3/c1-30(2,3)29(32)27(22-33-21-25-17-11-6-12-18-25)28(31)26(19-23-13-7-4-8-14-23)20-24-15-9-5-10-16-24/h4-18,26-29,31-32H,19-22H2,1-3H3
InChIKey IZXBMTGPOFEHEE-UHFFFAOYSA-N
Molecular Weight 446.631 g/mol
SMILES C(C(C(CC=1C=CC=CC1)CC=1C=CC=CC1)O)(C(C(C)(C)C)O)COCC=1C=CC=CC1