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(E,E)-6-(10-bromo-11-hydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-3-(3,3-ethylenedioxybutyl)-4,5,7-trimethoxy-2,2-dimethyl-2,3-dihydrobenzofuran

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

(E,E)-6-(10-bromo-11-hydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-3-(3,3-ethylenedioxybutyl)-4,5,7-trimethoxy-2,2-dimethyl-2,3-dihydrobenzofuran
SpectraBase Compound ID aa0aj0e3I2
InChI InChI=1S/C34H53BrO7/c1-22(12-11-13-23(2)15-17-26(35)32(3,4)36)14-16-24-28(37-8)30(39-10)27-25(18-19-34(7)40-20-21-41-34)33(5,6)42-31(27)29(24)38-9/h13-14,25-26,36H,11-12,15-21H2,1-10H3/b22-14+,23-13+
InChIKey VWLZMKWTUKKUQH-FUZKNQEWSA-N
Mol Weight 653.7 g/mol
Molecular Formula C34H53BrO7
Exact Mass 652.297467 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KDCCtVJ0Rj6
Name (E,E)-6-(10-Bromo-11-hydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-3-(3,3-ethylenedioxybutyl)-4,5,7-trimethoxy-2,2-dimethyl-2,3-dihydrobenzofuran
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 652.297467040 u
Formula C34H53BrO7
InChI InChI=1S/C34H53BrO7/c1-22(12-11-13-23(2)15-17-26(35)32(3,4)36)14-16-24-28(37-8)30(39-10)27-25(18-19-34(7)40-20-21-41-34)33(5,6)42-31(27)29(24)38-9/h13-14,25-26,36H,11-12,15-21H2,1-10H3/b22-14+,23-13+
InChIKey VWLZMKWTUKKUQH-FUZKNQEWSA-N
Molecular Weight 653.695 g/mol
SMILES C=12OC(C(C2=C(C(=C(C\C=C\(CC\C=C\(CCC(C(O)(C)C)Br)C)C)C1OC)OC)OC)CCC1(OCCO1)C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.864409