11-acetylsulfanylundecanoic acid

m 197

Formula: C13H24O3S

Canonical Smiles: OC(=O)CCCCCCCCCCSC(=O)C

Inchi: InChI=1S/C13H24O3S/c1-12(14)17-11-9-7-5-3-2-4-6-8-10-13(15)16/h2-11H2,1H3,(H,15,16)

Inchikey: DHKWYRRJFXRZOA-UHFFFAOYSA-N

Mass: 260.14

Crosslinks: Pubchem

Publication (over 3 years ago)

Authors:

Sylvain Grosjean

Affiliation:

Karlsruhe Institute of Technology, Institute of Organic Chemistry (Stefan Bräse Group)

DOI: 10.14272/DHKWYRRJFXRZOA-UHFFFAOYSA-N

Characterization

Nopreview

NMR/1H/CDCl3/300

1H-NMR (CDCl3, 300 MHz): δ = 2.86 (t, 2H, J = 7.2 Hz), 2.34 (t, 2H, J = 7.2 Hz), 2.32 (s, 3H), 1.65-1.51 (m, 4H), 1.33-1.27 (m, 12H) ppm.

DOI: 10.14272/DHKWYRRJFXRZOA-UHFFFAOYSA-N/NMR/1H/CDCl3/300

Nopreview

NMR/13C/CDCl3/75

13C-NMR (CDCl3, 75 MHz): δ = 196.3, 180.3, 34.2, 30.7, 29.6-28.9 (8 C), 24.8 ppm.

DOI: 10.14272/DHKWYRRJFXRZOA-UHFFFAOYSA-N/NMR/13C/CDCl3/75

Nopreview

Mass/EI

MS (EI, 70 eV): m/z (%) = 260 (8), 217 (18), 200 (100).

DOI: 10.14272/DHKWYRRJFXRZOA-UHFFFAOYSA-N/Mass/EI

Nopreview

TLC

Rf = 0.70 (ethyl acetate:cyclohexane, 5:5)

DOI: 10.14272/DHKWYRRJFXRZOA-UHFFFAOYSA-N/TLC


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