3-(1,3-Benzodioxol-5-yl)-2-cyanoacrylamide

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Systematic / IUPAC Name: (2Z)-3-(1,3-Benzodioxol-5-yl)-2-cyanoacrylamide

ID: Reference4020

Other Names: 2-Propenamide, 3-(1,3-benzodioxol-5-yl)-2-cyano-, (2Z)-

Formula: C11H8N2O3

Spectral Data

3-(1,3-Benzodioxol-5-yl)-2-cyanoacrylamide 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 2
No. of Spectra 230
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/1/2016 8:54:41 AM
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Identificators

InChI InChI=1S/C11H8N2O3/c12-5-8(11(13)14)3-7-1-2-9-10(4-7)16-6-15-9/h1-4H,6H2,(H2,13,14)/b8-3-
InChI Key CBMXFPHUADQWJW-BAQGIRSFSA-N
Canonical SMILES C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)N
CAS
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Other Names 2-Propenamide, 3-(1,3-benzodioxol-5-yl)-2-cyano-, (2Z)-

In Other Databases

PubChem 5714118; 19166639
ChemSpider 12107873