Spektraris NMR
7-DIETHYLAMINO-4-METHYLCOUMARIN
Common Name: 7-DIETHYLAMINO-4-METHYLCOUMARIN
Synonyms: 7-DIETHYLAMINO-4-METHYLCOUMARIN
CAS Registry Number:
InChI: InChI=1S/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H3
InChIKey: InChIKey=AFYCEAFSNDLKSX-UHFFFAOYSA-N
Formula: C14H17N1O2
Molecular Weight: 231.290848
Exact Mass: 231.125929
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sojka, S.A. J Org Chem (1975) 40, 1175-8
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Coumarins; 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 |
|---|---|
| 2 (C) | 161.6 |
| 3 (CH) | 108 |
| 4 (C) | 152.5 |
| 5 (CH) | 125 |
| 6 (CH) | 108 |
| 7 (C) | 150.1 |
| 8 (CH) | 97.1 |
| 9 (C) | 155.5 |
| 10 (C) | 108.4 |
| 4a (CH3) | 18.1 |
| 7a (CH2) | 43.8 |
| 7b (CH3) | 12.3 |
| 7c (CH2) | 43.8 |
| 7d (CH3) | 12.3 |
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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.