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3,5-Cyclohexadiene-1,2-diol, 3-[(benzoyloxy)methyl]-, trans-(.+-.)-
SpectraBase Compound ID 5X5H0VSUsfv
InChI InChI=1S/C14H14O4/c15-12-8-4-7-11(13(12)16)9-18-14(17)10-5-2-1-3-6-10/h1-8,12-13,15-16H,9H2/t12-,13-/m1/s1
InChIKey GEVMXXMMCOQYSB-CHWSQXEVSA-N
Mol Weight 246.26 g/mol
Molecular Formula C14H14O4
Exact Mass 246.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CUg9TQLVqQ
Name 3,5-Cyclohexadiene-1,2-diol, 3-[(benzoyloxy)methyl]-, trans-(.+-.)-
CAS Registry Number 79813-09-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O4
InChI InChI=1S/C14H14O4/c15-12-8-4-7-11(13(12)16)9-18-14(17)10-5-2-1-3-6-10/h1-8,12-13,15-16H,9H2/t12-,13-/m1/s1
InChIKey GEVMXXMMCOQYSB-CHWSQXEVSA-N
Molecular Weight 246.262 g/mol
SMILES O[C@@]1(C=CC=C([C@]1(O)[H])COC(=O)c1ccccc1)[H]
SPLASH splash10-0ab9-0900000000-51ce8e0afbb6e14d3ac2
Source of Spectrum AJ-59-655-3
Synonyms DL-trans-1-benzoyloxymethyl-4,6-cyclohexadiene-2,3-diol [(5R,6R)-5,6-dihydroxy-1,3-cyclohexadien-1-yl]methyl benzoate
Wiley ID 1248972