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(undecylthio)acetic acid

View entire compound with spectra: 2 NMR, and 1 FTIR

(undecylthio)acetic acid
SpectraBase Compound ID 80p4At2wi3H
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)
InChIKey CZSSKBQAJULWPY-UHFFFAOYSA-N
Mol Weight 246.41 g/mol
Molecular Formula C13H26O2S
Exact Mass 246.165351 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IBcibprK3fp
Name (UNDECYLTHIO)ACETIC ACID
Source of Sample Smith, Chalmers Technical H. S. Gotenborg, Sweden
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26O2S
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)
InChIKey CZSSKBQAJULWPY-UHFFFAOYSA-N
Melting Point 63C
Molecular Weight 246.42
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ACETIC ACID, /UNDECYLTHIO/-,