Spektraris NMR
2-(2-hydroxyethylsulfinylsulfanyl)ethanol
Common Name: 2-(2-hydroxyethylsulfinylsulfanyl)ethanol
Synonyms: 2-(2-hydroxyethylsulfinylsulfanyl)ethanol
CAS Registry Number:
InChI: InChI=1S/C4H10O3S2/c5-1-3-8-9(7)4-2-6/h5-6H,1-4H2
InChIKey: InChIKey=OMAXTNZZJOQQEK-UHFFFAOYSA-N
Formula: C4H10O3S2
Molecular Weight: 170.252735
Exact Mass: 170.007136
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kubec R., Kim S., Musah R.A. Phytochemistry (2002) 61, 675-80
Species:
Notes: Family : Aliphatics, Type : Thiosulfinates; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 60 |
| 2 (CH2) | 56.5 |
| 1' (CH2) | 36.8 |
| 2' (CH2) | 62.7 |
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