Spektraris NMR
1-Methylpyrene-2,7-diol
Common Name: 1-Methylpyrene-2,7-diol
Synonyms: 1-Methylpyrene-2,7-diol
CAS Registry Number:
InChI: InChI=1S/C17H12O2/c1-9-14-5-4-11-7-13(18)6-10-2-3-12(8-15(9)19)17(14)16(10)11/h2-8,18-19H,1H3
InChIKey: InChIKey=SYBXWXNHMWJNDV-UHFFFAOYSA-N
Formula: C17H12O2
Molecular Weight: 248.276609
Exact Mass: 248.08373
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Yang, G.Z., Li, H.X., Song, F.J., Chen, Y. Helv Chim Acta (2007) 90, 1289-95
Species:
Notes: Family : Aromatics, Type : Pyrenes; 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) | 112 |
| 2 (C) | 152.8 |
| 3 (C) | 119.3 |
| 3a (C) | 129.5 |
| 4 (CH) | 124.1 |
| 5 (CH) | 127 |
| 5a (C) | 119.9 |
| 6 (CH) | 111.6 |
| 7 (C) | 155 |
| 8 (CH) | 111.6 |
| 8a (C) | 132.2 |
| 9 (CH) | 126.3 |
| 10 (CH) | 127.3 |
| 10a (C) | 120 |
| 10b (C) | 131.6 |
| 10c (C) | 129.9 |
| 1' (CH3) | 10.8 |
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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.