2,6-Bis(1,3-benzodioxol-5-ylmethylidene)cyclohexan-1-one

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Systematic / IUPAC Name: (2E,6E)-2,6-Bis(1,3-benzodioxol-5-ylmethylene)cyclohexanone

ID: Reference6938

Other Names: 2,6-Bis-[1-benzo[1,3]dioxol-5-yl-meth-(E)-ylidene]-cyclohexanone;
(2E,6E)-2,6-Bis(1,3-benzodioxol-5-ylmethylidene)cyclohexan-1-one;
(2E,6E)-2,6-Bis(1,3-benzodioxol-5-ylmethylidene)cyclohexanone;
2,6-Bis(benzo[d][1,3]dioxol-5-ylmethylene)cyclohexanone;
Cyclohexanone, 2,6-bis(1,3-benzodioxol-5-ylmethylene)-, (2E,6E)-

Formula: C22H18O5

Spectral Data

2,6-Bis(1,3-benzodioxol-5-ylmethylidene)cyclohexan-1-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/20/2017 6:20:21 AM
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Identificators

InChI InChI=1S/C22H18O5/c23-22-16(8-14-4-6-18-20(10-14)26-12-24-18)2-1-3-17(22)9-15-5-7-19-21(11-15)27-13-25-19/h4-11H,1-3,12-13H2/b16-8+,17-9+
InChI Key FSKXKUGPSKOGHB-GONBZBRSSA-N
Canonical SMILES C1CC(=CC2=CC3=C(C=C2)OCO3)C(=O)C(=CC4=CC5=C(C=C4)OCO5)C1
CAS 5216820
Splash
Other Names 2,6-Bis-[1-benzo[1,3]dioxol-5-yl-meth-(E)-ylidene]-cyclohexanone;
(2E,6E)-2,6-Bis(1,3-benzodioxol-5-ylmethylidene)cyclohexan-1-one;
(2E,6E)-2,6-Bis(1,3-benzodioxol-5-ylmethylidene)cyclohexanone;
2,6-Bis(benzo[d][1,3]dioxol-5-ylmethylene)cyclohexanone;
Cyclohexanone, 2,6-bis(1,3-benzodioxol-5-ylmethylene)-, (2E,6E)-

In Other Databases

ChemSpider 1266835
PubChem 1550133
ChEMBL CHEMBL1571795