Spektraris NMR
[R,(?)]-4-p-Tolylvaleric acid
![[R,(?)]-4-p-Tolylvaleric acid](/nmr/static/nmr/svg/20425.svg)
Common Name: [R,(?)]-4-p-Tolylvaleric acid
Synonyms: [R,(?)]-4-p-Tolylvaleric acid
CAS Registry Number:
InChI: InChI=1S/C12H16O2/c1-9-3-6-11(7-4-9)10(2)5-8-12(13)14/h3-4,6-7,10H,5,8H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKey: InChIKey=WSXBHPNNXXHZAP-SNVBAGLBSA-N
Formula: C12H16O2
Molecular Weight: 192.254693
Exact Mass: 192.11503
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Braun, N.A., Spitzner, D. Arkivoc (2007) 0, 273-9
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 (CH) | 127.1 |
| 2 (CH) | 129.5 |
| 3 (C) | 136 |
| 4 (CH) | 129.5 |
| 5 (CH) | 127.1 |
| 6 (C) | 143.3 |
| 7 (CH) | 39.1 |
| 8 (CH2) | 33.2 |
| 9 (CH2) | 32.6 |
| 10 (C) | 180.4 |
| 14 (CH3) | 22.5 |
| 15 (CH3) | 21.3 |
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