3-[(5-Chloro-1,3-benzothiazol-2-yl)thio]-5,5-dimethylcyclohex-2-en-1-one

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Systematic / IUPAC Name: 3-[(5-Chloro-1,3-benzothiazol-2-yl)sulfanyl]-5,5-dimethylcyclohex-2-en-1-one

ID: Reference6339

Other Names: 3-(5-Chlorobenzothiazol-2-ylthio)-5,5-dimethylcyclohex-2-en-1-one;
3-[(5-Chloro-1,3-benzothiazol-2-yl)sulfanyl]-5,5-dimethyl-2-cyclohexen-1-one

Formula: C15H14ClNOS2

Spectral Data

3-[(5-Chloro-1,3-benzothiazol-2-yl)thio]-5,5-dimethylcyclohex-2-en-1-one 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 2/23/2017 3:24:50 PM
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Identificators

InChI InChI=1S/C15H14ClNOS2/c1-15(2)7-10(18)6-11(8-15)19-14-17-12-5-9(16)3-4-13(12)20-14/h3-6H,7-8H2,1-2H3
InChI Key IORJOKCIHBBZIJ-UHFFFAOYSA-N
Canonical SMILES CC1(CC(=CC(=O)C1)SC2=NC3=C(S2)C=CC(=C3)Cl)C
CAS
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Other Names 3-(5-Chlorobenzothiazol-2-ylthio)-5,5-dimethylcyclohex-2-en-1-one;
3-[(5-Chloro-1,3-benzothiazol-2-yl)sulfanyl]-5,5-dimethyl-2-cyclohexen-1-one

In Other Databases

PubChem 2817247
ChemSpider 2095559