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Benzene, 2-bromo-1-(3,3-diethoxypentyl)-3,5-bis(phenylmethoxy)-

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Benzene, 2-bromo-1-(3,3-diethoxypentyl)-3,5-bis(phenylmethoxy)-
SpectraBase Compound ID DQXqcSASOAe
InChI InChI=1S/C29H35BrO4/c1-4-29(33-5-2,34-6-3)18-17-25-19-26(31-21-23-13-9-7-10-14-23)20-27(28(25)30)32-22-24-15-11-8-12-16-24/h7-16,19-20H,4-6,17-18,21-22H2,1-3H3
InChIKey ZCPUFCNHHAGDSQ-UHFFFAOYSA-N
Mol Weight 527.5 g/mol
Molecular Formula C29H35BrO4
Exact Mass 526.171873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5tSRhVGCITQ
Name Benzene, 2-bromo-1-(3,3-diethoxypentyl)-3,5-bis(phenylmethoxy)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 526.171872603 u
Formula C29H35BrO4
InChI InChI=1S/C29H35BrO4/c1-4-29(33-5-2,34-6-3)18-17-25-19-26(31-21-23-13-9-7-10-14-23)20-27(28(25)30)32-22-24-15-11-8-12-16-24/h7-16,19-20H,4-6,17-18,21-22H2,1-3H3
InChIKey ZCPUFCNHHAGDSQ-UHFFFAOYSA-N
Molecular Weight 527.499 g/mol
SMILES C1(=C(C(CCC(OCC)(OCC)CC)=CC(=C1)OCC1=CC=CC=C1)Br)OCC=1C=CC=CC1