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[(1R,2R,5R,6R)-2,5,6-tribenzoxycyclohex-3-en-1-yl]oxymethylbenzene

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

[(1R,2R,5R,6R)-2,5,6-tribenzoxycyclohex-3-en-1-yl]oxymethylbenzene
SpectraBase Compound ID AxFTbwpMZmS
InChI InChI=1S/C34H34O4/c1-5-13-27(14-6-1)23-35-31-21-22-32(36-24-28-15-7-2-8-16-28)34(38-26-30-19-11-4-12-20-30)33(31)37-25-29-17-9-3-10-18-29/h1-22,31-34H,23-26H2/t31-,32-,33-,34-/m1/s1
InChIKey YXESOFSNVJDUEL-YFRBGRBWSA-N
Mol Weight 506.6 g/mol
Molecular Formula C34H34O4
Exact Mass 506.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BzAh8Qmol8p
Name [(1R,2R,5R,6R)-2,5,6-Tribenzoxycyclohex-3-en-1-yl]oxymethylbenzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.245709571 u
Formula C34H34O4
InChI InChI=1S/C34H34O4/c1-5-13-27(14-6-1)23-35-31-21-22-32(36-24-28-15-7-2-8-16-28)34(38-26-30-19-11-4-12-20-30)33(31)37-25-29-17-9-3-10-18-29/h1-22,31-34H,23-26H2/t31-,32-,33-,34-/m1/s1
InChIKey YXESOFSNVJDUEL-YFRBGRBWSA-N
Molecular Weight 506.642 g/mol
SMILES [C@]1([C@](OCC=2C=CC=CC2)([C@](OCC2=CC=CC=C2)(C=C[C@]1(OCC=1C=CC=CC1)[H])[H])[H])(OCC=1C=CC=CC1)[H]