Spektraris NMR
(S)-(+)-4-Nitrocurcuphenol
Common Name: (S)-(+)-4-Nitrocurcuphenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H21NO3/c1-10(2)6-5-7-11(3)13-9-14(16(18)19)12(4)8-15(13)17/h6,8-9,11,17H,5,7H2,1-4H3/t11-/m0/s1
InChIKey: InChIKey=WQROQSWYNBQBAS-NSHDSACASA-N
Formula: C15H21N1O3
Molecular Weight: 263.332752
Exact Mass: 263.152144
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - El Sayed, K.A., Yousaf, M., Hamann, M.T., Avery, M.A., Kelly, M., Wipf, P. J Nat Prod (2002) 65, 1547-53
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) | 158.2 |
| 2 (CH) | 118.9 |
| 3 (C) | 134.7 |
| 4 (C) | 142 |
| 5 (CH) | 125.5 |
| 6 (C) | 132.7 |
| 7 (CH) | 31.5 |
| 8 (CH2) | 36.9 |
| 9 (CH2) | 25.9 |
| 10 (CH) | 124.1 |
| 11 (C) | 132.5 |
| 12 (CH3) | 17.6 |
| 13 (CH3) | 25.7 |
| 14 (CH3) | 20.6 |
| 15 (CH3) | 21.2 |
