5-(1H-Indol-3-ylmethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

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Systematic / IUPAC Name: 5-(1H-Indol-3-ylmethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

ID: Reference5595

Other Names: 1,3-Dioxane-4,6-dione, 5-[(3-indolyl)methylene]-2,2-dimethyl-;
5-(1H-Indol-3-ylmethylene)-2,2-dimethyl-[1,3]dioxane-4,6-dione;
5-(Indol-3-ylmethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

Formula: C15H13NO4

Spectral Data

5-(1H-Indol-3-ylmethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione 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 107
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/12/2016 2:28:18 PM
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Identificators

InChI InChI=1S/C15H13NO4/c1-15(2)19-13(17)11(14(18)20-15)7-9-8-16-12-6-4-3-5-10(9)12/h3-8,16H,1-2H3
InChI Key QFHDZXBCJFKYRI-UHFFFAOYSA-N
Canonical SMILES CC1(OC(=O)C(=CC2=CNC3=CC=CC=C32)C(=O)O1)C
CAS
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Other Names 1,3-Dioxane-4,6-dione, 5-[(3-indolyl)methylene]-2,2-dimethyl-;
5-(1H-Indol-3-ylmethylene)-2,2-dimethyl-[1,3]dioxane-4,6-dione;
5-(Indol-3-ylmethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

In Other Databases

ChEMBL CHEMBL1214223
PubChem 598266
ChemSpider 520058