2-[4-(3,4-Dichlorophenyl)-1,3-thiazol-2-yl]acetonitrile

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Systematic / IUPAC Name: [4-(3,4-Dichlorophenyl)-1,3-thiazol-2-yl]acetonitrile

ID: Reference3840

Other Names: 2-Thiazoleacetonitrile, 4-(3,4-dichlorophenyl)-

Formula: C11H6Cl2N2S

Spectral Data

2-[4-(3,4-Dichlorophenyl)-1,3-thiazol-2-yl]acetonitrile 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 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/15/2016 10:24:54 AM
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Identificators

InChI InChI=1S/C11H6Cl2N2S/c12-8-2-1-7(5-9(8)13)10-6-16-11(15-10)3-4-14/h1-2,5-6H,3H2
InChI Key QUKXPETXDIENML-UHFFFAOYSA-N
Canonical SMILES C1=CC(=C(C=C1C2=CSC(=N2)CC#N)Cl)Cl
CAS 637015806
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Other Names 2-Thiazoleacetonitrile, 4-(3,4-dichlorophenyl)-

In Other Databases

PubChem 716375
ChemSpider 625105