Spektraris NMR
Isonardoperoxide
Common Name: Isonardoperoxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O4/c1-8(2)15-6-5-14(4,18-19-15)12-10(16)7-9(3)11(12)13(15)17/h8-9,13,17H,5-7H2,1-4H3/t9-,13+,14-,15-/m1/s1
InChIKey: InChIKey=BDBRZURCDWHOCK-KYQLBWAOSA-N
Formula: C15H22O4
Molecular Weight: 266.333355
Exact Mass: 266.151809
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Takaya, Y., Kurumada, K.-i., Takeuji, Y., Kim, H.-S., Shibata, Y., Ikemoto, N., Wataya, Y., Oshima, Y. Tetrahedron Lett (1998) 39, 1361-4
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) | 143.6 |
| 2 (C) | 204.9 |
| 3 (CH2) | 45.5 |
| 4 (CH) | 32.6 |
| 5 (C) | 178.8 |
| 6 (CH) | 69.2 |
| 7 (C) | 83.4 |
| 8 (CH2) | 20.1 |
| 9 (CH2) | 28.6 |
| 10 (C) | 78.9 |
| 11 (CH) | 31.9 |
| 12 (CH3) | 15.8 |
| 13 (CH3) | 17.8 |
| 14 (CH3) | 22.6 |
| 15 (CH3) | 18.9 |
