Indole-3-acrylic acid

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Systematic / IUPAC Name: (E)-3-(1H-Indol-3-yl)prop-2-enoic acid

ID: Reference449

Other Names: 3-Indoleacrylic acid;
3-Indolylacrylic acid;
3-(3-Indolyl)acrylic acid;
Indole-3β-acrylic acid;
3-(Indol-3-yl)acrylic acid ; more

Formula: C11H9NO2

Class: Endogenous Metabolites

Spectral Data

Indole-3-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 Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 304
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 1/21/2015 11:18:56 AM
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Identificators

InChI InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+
InChI Key PLVPPLCLBIEYEA-AATRIKPKSA-N
Canonical SMILES C1=CC=C2C(=C1)C(=CN2)/C=C/C(=O)O
CAS 1204064
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Other Names 3-Indoleacrylic acid;
3-Indolylacrylic acid;
3-(3-Indolyl)acrylic acid;
Indole-3β-acrylic acid;
3-(Indol-3-yl)acrylic acid;
Indole-3-acrylic acid;
(2E)-3-(1H-Indol-3-yl)acrylic acid;
3-(1H-Indol-3-yl)acrylic acid;
trans-3-(1H-Indol-3-yl)acrylic acid;
2-Propenoic acid, 3-(1H-indol-3-yl)-;
3-(1H-Indol-3-yl)-2-propenoic acid;
(2E)-3-(1H-Indol-3-yl)prop-2-enoic acid;
(2E)-3-Indol-3-ylprop-2-enoic acid;
3-(1H-Indol-3-yl)prop-2-enoic acid;
trans-3-(1H-Indol-3-yl)prop-2-enoic acid;
(2E)-3-(1H-Indol-3-yl)-2-propenoic acid;
2-Propenoic acid, 3-(1H-indol-3-yl)-, (2E)-

In Other Databases

ChemIDPlus 001204064
ChemSpider 4524636
PubChem 5375048
ChEMBL CHEMBL445966