Spektraris NMR
methyl salicylate
Common Name: methyl salicylate
Synonyms: methyl salicylate
CAS Registry Number:
InChI: InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
InChIKey: InChIKey=OSWPMRLSEDHDFF-UHFFFAOYSA-N
Formula: C8H8O3
Molecular Weight: 152.147628
Exact Mass: 152.047344
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bilia, A.R.,Yusuf, A.W.,Braca, A.,Keita, A.,Morelli, I. J Nat Prod (2000) 63, 16-21
Species:
Notes: Family : Aromatics, Type : Benzenes; 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) | 112.4 |
| 2 (C) | 161.7 |
| 3 (CH) | 117.5 |
| 4 (CH) | 135.5 |
| 5 (CH) | 119 |
| 6 (CH) | 129.9 |
| 7 (C) | 170.5 |
| 7a (CH3) | 52.1 |
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