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(2R)-trans-2,3-bis(benzoyloxy)-1-[(benzoyloxy)methyl]cyclohexa-4,6-diene
SpectraBase Compound ID 7whF6s4XjR1
InChI InChI=1S/C28H22O6/c29-26(20-11-4-1-5-12-20)32-19-23-17-10-18-24(33-27(30)21-13-6-2-7-14-21)25(23)34-28(31)22-15-8-3-9-16-22/h1-18,24-25H,19H2/t24-,25-/m1/s1
InChIKey VZSDVBMAXBEBCD-JWQCQUIFSA-N
Mol Weight 454.48 g/mol
Molecular Formula C28H22O6
Exact Mass 454.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJTCV3BnyA9
Name (2R)-trans-2,3-bis(benzoyloxy)-1-[(benzoyloxy)methyl]cyclohexa-4,6-diene
Alternate Name(s) (1R,6R)-6-(benzoyloxy)-2-[(benzoyloxy)methyl]-2,4-cyclohexadien-1-yl benzoate
CAS Registry Number 96247-04-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22O6
InChI InChI=1S/C28H22O6/c29-26(20-11-4-1-5-12-20)32-19-23-17-10-18-24(33-27(30)21-13-6-2-7-14-21)25(23)34-28(31)22-15-8-3-9-16-22/h1-18,24-25H,19H2/t24-,25-/m1/s1
InChIKey VZSDVBMAXBEBCD-JWQCQUIFSA-N
Molecular Weight 454.478 g/mol
SMILES [C@]1(OC(=O)c2ccccc2)(C(=CC=C[C@]1(OC(=O)c1ccccc1)[H])COC(=O)c1ccccc1)[H]
SPLASH splash10-0a4i-0901000000-a58d8b9fb46bb870139d
Source of Spectrum J-50-2359-11
Wiley ID 1388831