Spektraris NMR
2-benzylsulfinylsulfanylethanol
Common Name: 2-benzylsulfinylsulfanylethanol
Synonyms: 2-benzylsulfinylsulfanylethanol
CAS Registry Number:
InChI: InChI=1S/C9H12O2S2/c10-6-7-12-13(11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey: InChIKey=XYTFNAGXLVIKGJ-UHFFFAOYSA-N
Formula: C9H12O2S2
Molecular Weight: 216.322891
Exact Mass: 216.027871
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kubec R., Kim S., Musah R.A. Phytochemistry (2002) 61, 675-80
Species:
Notes: Family : Aromatics, Type : Benzenes, Group : 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) | 62.7 |
| 2 (CH2) | 36.1 |
| 1' (CH2) | 63.1 |
| 2' (C) | 129.7 |
| 3' (CH) | 129.8 |
| 4' (CH) | 131.6 |
| 5' (CH) | 131.7 |
| 6' (CH) | 131.6 |
| 7' (CH) | 129.8 |
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