Spektraris NMR
Valerenal
Common Name: Valerenal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8-9,11,13-14H,4-7H2,1-3H3/b10-8+/t11-,13+,14+/m1/s1
InChIKey: InChIKey=RJZWGDPBGWGJNU-VTBYEZFWSA-N
Formula: C15H22O1
Molecular Weight: 218.33514
Exact Mass: 218.167065
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Baudoy, R., Sartoretti, J., Choplin, F. Tetrahedron (1983) 39, 3293
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Valerenanes; 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 (CH) | 47.6 |
| 2 (CH2) | 24.6 |
| 3 (CH2) | 37.5 |
| 4 (C) | 132.6 |
| 5 (C) | 137.6 |
| 6 (CH) | 34.8 |
| 7 (CH) | 155.8 |
| 8 (CH2) | 25.3 |
| 9 (CH2) | 28.8 |
| 10 (CH) | 33 |
| 11 (C) | 132 |
| 12 (CH3) | 13.6 |
| 13 (CH) | 196 |
| 14 (CH3) | 12 |
| 15 (CH3) | 9.2 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.