Spektraris NMR
1-(3-Hydroxymethyl-2,2-dimethylcyclopropyl)-2-methyl-2-propene-1-one
Common Name: 1-(3-Hydroxymethyl-2,2-dimethylcyclopropyl)-2-methyl-2-propene-1-one
Synonyms: 1-(3-Hydroxymethyl-2,2-dimethylcyclopropyl)-2-methyl-2-propene-1-one
CAS Registry Number:
InChI: InChI=1S/C10H16O2/c1-6(2)9(12)8-7(5-11)10(8,3)4/h7-8,11H,1,5H2,2-4H3
InChIKey: InChIKey=IPMFRVOWOQKFNP-UHFFFAOYSA-N
Formula: C10H16O2
Molecular Weight: 168.233221
Exact Mass: 168.11503
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fattorusso, E., Santelia, F.U., Appendino, G., Ballero, M., Taglialatela-Scafati, O. J Nat Prod (2004) 67, 37-41
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Chrysanthemanes; 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 (CH2) | 62.1 |
| 2 (CH) | 35.1 |
| 3 (CH) | 34 |
| 4 (C) | 198.4 |
| 5 (C) | 147.1 |
| 6 (CH2) | 123.2 |
| 7 (CH3) | 18.1 |
| 8 (C) | 25.6 |
| 9 (CH3) | 20.3 |
| 10 (CH3) | 21 |
