2-(Acetylamino)-3-(3,5-difluorophenyl)acrylic acid

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Systematic / IUPAC Name: (E)-2-Acetamido-3-(3,5-difluorophenyl)prop-2-enoic acid

ID: Reference8451

Other Names: 2-Propenoic acid, 2-(acetylamino)-3-(3,5-difluorophenyl)-, (2E)-;
(2E)-3-(3,5-Difluorophenyl)-2-acetamidoprop-2-enoic acid;
2-(Acetylamino)-3-(3,5-difluorophenyl)-2-propenoic acid;
2-Acetamido-3-(3,5-difluorophenyl)acrylic acid

Formula: C11H9F2NO3

Spectral Data

2-(Acetylamino)-3-(3,5-difluorophenyl)acrylic acid 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 210
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/11/2018 1:41:55 PM
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Identificators

InChI InChI=1S/C11H9F2NO3/c1-6(15)14-10(11(16)17)4-7-2-8(12)5-9(13)3-7/h2-5H,1H3,(H,14,15)(H,16,17)/b10-4+
InChI Key DHOMOKKAUSLKGQ-ONNFQVAWSA-N
Canonical SMILES CC(=O)NC(=CC1=CC(=CC(=C1)F)F)C(=O)O
CAS
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Other Names 2-Propenoic acid, 2-(acetylamino)-3-(3,5-difluorophenyl)-, (2E)-;
(2E)-3-(3,5-Difluorophenyl)-2-acetamidoprop-2-enoic acid;
2-(Acetylamino)-3-(3,5-difluorophenyl)-2-propenoic acid;
2-Acetamido-3-(3,5-difluorophenyl)acrylic acid

In Other Databases

PubChem 6375932
ChemSpider 20177566