2-(1,3-Dithiepan-2-yliden)-2-(phenylsulfonyl)acetonitrile

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Systematic / IUPAC Name: 1,3-Dithiepan-2-ylidene(phenylsulfonyl)acetonitrile

ID: Reference7044

Other Names: Acetonitrile, 2-(1,3-dithiepan-2-ylidene)-2-(phenylsulfonyl)-

Formula: C13H13NO2S3

Spectral Data

2-(1,3-Dithiepan-2-yliden)-2-(phenylsulfonyl)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 182
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/21/2017 12:49:49 PM
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Identificators

InChI InChI=1S/C13H13NO2S3/c14-10-12(13-17-8-4-5-9-18-13)19(15,16)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2
InChI Key CUPHSJZFOJQLMX-UHFFFAOYSA-N
Canonical SMILES C1CCSC(=C(C#N)S(=O)(=O)C2=CC=CC=C2)SC1
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Other Names Acetonitrile, 2-(1,3-dithiepan-2-ylidene)-2-(phenylsulfonyl)-

In Other Databases

ChemSpider 2099297
PubChem 2821069