4-Cyano-4-[(dodecylsulfanylthiocarbonyl)sulfanyl]pentanoic acid

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Systematic / IUPAC Name: 4-Cyano-4-{[(dodecylsulfanyl)carbonothioyl]sulfanyl}pentanoic acid

ID: Reference2674

Other Names: Pentanoic acid, 4-cyano-4-{[(dodecylthio)thioxomethyl]thio}-

Formula: C19H33NO2S3

Class: Extractables/Leachables Industrial Chemicals

Spectral Data

4-Cyano-4-[(dodecylsulfanylthiocarbonyl)sulfanyl]pentanoic 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 124
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/16/2016 1:36:36 PM
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Identificators

InChI InChI=1S/C19H33NO2S3/c1-3-4-5-6-7-8-9-10-11-12-15-24-18(23)25-19(2,16-20)14-13-17(21)22/h3-15H2,1-2H3,(H,21,22)
InChI Key RNTXYZIABJIFKQ-UHFFFAOYSA-N
Canonical SMILES CCCCCCCCCCCCSC(=S)SC(C)(CCC(=O)O)C#N
CAS 870196808
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Other Names Pentanoic acid, 4-cyano-4-{[(dodecylthio)thioxomethyl]thio}-

In Other Databases

PubChem 57354956
ChemSpider 22516323