Spektraris NMR
Erectathiol
Common Name: Erectathiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22S/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h5,7-8,10-11,13,16H,4,6,9H2,1-3H3/t11-,13+/m0/s1
InChIKey: InChIKey=HJGSRTVZUZIFMU-WCQYABFASA-N
Formula: C15H22S1
Molecular Weight: 234.40182
Exact Mass: 234.144221
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cheng, S.Y., Huang, Y.C., Wen, Z.H., Chiou, S.F., Wang, S.K., Hsu, C.H., Dai, C.F., Duh, C.Y. Tetrahedron Lett (2009) 50, 802-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Calamenenes; 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 (C) | 142.1 |
| 2 (CH) | 127 |
| 3 (CH) | 126.1 |
| 4 (C) | 135.7 |
| 5 (CH) | 128.7 |
| 6 (C) | 140.2 |
| 7 (CH) | 43.8 |
| 8 (CH2) | 21.4 |
| 9 (CH2) | 30.6 |
| 10 (CH) | 32.7 |
| 11 (CH) | 31.9 |
| 12 (CH3) | 17.4 |
| 13 (CH3) | 21.3 |
| 14 (CH2) | 32.9 |
| 15 (CH3) | 22.3 |
