[5-(Benzoyloxy)-3-chloro-4,6-dihydroxy-1-cyclohexen-1-yl]methyl benzoate

enlarge

Systematic / IUPAC Name: (5-Benzoyloxy-3-chloro-4,6-dihydroxycyclohexen-1-yl)methyl benzoate

ID: Reference7954

Other Names: 4-Cyclohexene-1,2,3-triol, 4-[(benzoyloxy)methyl]-6-chloro-, 2-benzoate

Formula: C21H19ClO6

Spectral Data

[5-(Benzoyloxy)-3-chloro-4,6-dihydroxy-1-cyclohexen-1-yl]methyl benzoate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/15/2018 10:07:32 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H19ClO6/c22-16-11-15(12-27-20(25)13-7-3-1-4-8-13)17(23)19(18(16)24)28-21(26)14-9-5-2-6-10-14/h1-11,16-19,23-24H,12H2
InChI Key QUOOWFYEPMIYFF-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)C(=O)OCC2=CC(C(C(C2O)OC(=O)C3=CC=CC=C3)O)Cl
CAS
Splash
Other Names 4-Cyclohexene-1,2,3-triol, 4-[(benzoyloxy)methyl]-6-chloro-, 2-benzoate

In Other Databases

ChemSpider 22370313
PubChem 45360020