3-Oxo-3-phenyl-1-(3-thienyl)propyl aminomethanedithioate

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Systematic / IUPAC Name: 3-Oxo-3-phenyl-1-(3-thienyl)propyl carbamodithioate

ID: Reference4809

Other Names: Carbamodithioic acid,3-oxo-3-phenyl-1-(3-thienyl)propyl ester

Formula: C14H13NOS3

Spectral Data

3-Oxo-3-phenyl-1-(3-thienyl)propyl aminomethanedithioate 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 65
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/12/2016 7:30:24 AM
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Identificators

InChI InChI=1S/C14H13NOS3/c15-14(17)19-13(11-6-7-18-9-11)8-12(16)10-4-2-1-3-5-10/h1-7,9,13H,8H2,(H2,15,17)
InChI Key PEGKBRXZOKOCGM-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)C(=O)CC(C2=CSC=C2)SC(=S)N
CAS 286366709
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Other Names Carbamodithioic acid,3-oxo-3-phenyl-1-(3-thienyl)propyl ester

In Other Databases

PubChem 2725889
ChemSpider 2007961