3-Thiatetradecanoic acid

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Systematic / IUPAC Name: 2-Undecylsulfanylacetic acid

ID: Reference6786

Other Names: (Undecylsulfanyl)acetic acid;
(Undecylthio)-acetic acid;
2-Undecylthioacetic acid;
Acetic acid,2-(undecylthio)-;
3-TDA

Formula: C13H26O2S

Spectral Data

3-Thiatetradecanoic 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 Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 96
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 9/5/2017 11:35:59 AM
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Identificators

InChI InChI=1S/C13H26O2S/c1-2-3-4-5-6-7-8-9-10-11-16-12-13(14)15/h2-12H2,1H3,(H,14,15)
InChI Key CZSSKBQAJULWPY-UHFFFAOYSA-N
Canonical SMILES CCCCCCCCCCCSCC(=O)O
CAS 116296312
Splash
Other Names (Undecylsulfanyl)acetic acid;
(Undecylthio)-acetic acid;
2-Undecylthioacetic acid;
Acetic acid,2-(undecylthio)-;
3-TDA

In Other Databases

ChEMBL CHEMBL3184945
PubChem 4420067
ChemSpider 3620473