Spektraris NMR
β-Pinene
Common Name: β-Pinene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
InChIKey: InChIKey=WTARULDDTDQWMU-UHFFFAOYSA-N
Formula: C10H16
Molecular Weight: 136.234411
Exact Mass: 136.125201
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Jaulelat, M., Grutzner, J.B., Roberts, J.D. Proc Nat Acad Sci US (1970) 65, 288
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Pinanes; 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) | 52.1 |
| 2 (C) | 151.3 |
| 3 (CH2) | 23.8 |
| 4 (CH2) | 23.6 |
| 5 (CH) | 40.8 |
| 6 (CH2) | 27 |
| 7 (C) | 40.8 |
| 8 (CH3) | 25.8 |
| 9 (CH3) | 21.7 |
| 10 (CH2) | 106.3 |
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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.