Spektraris NMR
Lacitemzine
Common Name: Lacitemzine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-8-4-5-15-9(2)6-13(18-15)11(7-12(8)15)10(3)14(16)17/h9,11,13H,3-7H2,1-2H3,(H,16,17)/t9-,11+,13-,15+/m0/s1
InChIKey: InChIKey=DYMHDZYYXFBFRO-XPGAZNKBSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ghouila, H., Beyaoui, A., Jannet, H.B., Hamdi, B., Salah, A.B., Mighri, Z. Tetrahedron Lett (2008) 49, 5721-3
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 96.3 |
| 2 (CH2) | 23.8 |
| 3 (CH2) | 35.7 |
| 4 (C) | 131.4 |
| 5 (C) | 134.2 |
| 6 (CH2) | 23.8 |
| 7 (CH) | 41.8 |
| 8 (CH) | 76.1 |
| 9 (CH2) | 30.1 |
| 10 (CH) | 40.9 |
| 11 (C) | 140.1 |
| 12 (C) | 171.9 |
| 13 (CH2) | 126.7 |
| 14 (CH3) | 12.7 |
| 15 (CH3) | 13.6 |
