1,3-Benzothiazole-6-carboxylic acid

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Systematic / IUPAC Name: 1,3-Benzothiazole-6-carboxylic acid

ID: Reference4329

Other Names: 6-Benzothiazolecarboxylic acid;
6-Carboxy-1,3-benzothiazole;
Benzo[d]thiazole-6-carboxylic acid;
Benzothiazole-6-carboxylic acid

Formula: C8H5NO2S

Spectral Data

1,3-Benzothiazole-6-carboxylic 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 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/22/2016 9:19:48 AM
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Identificators

InChI InChI=1S/C8H5NO2S/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H,10,11)
InChI Key DMPZJACLHDWUFS-UHFFFAOYSA-N
Canonical SMILES C1=CC2=C(C=C1C(=O)O)SC=N2
CAS 3622353
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Other Names 6-Benzothiazolecarboxylic acid;
6-Carboxy-1,3-benzothiazole;
Benzo[d]thiazole-6-carboxylic acid;
Benzothiazole-6-carboxylic acid

In Other Databases

PubChem 601670
ChEMBL CHEMBL1579917
ChemSpider 523045