Spektraris NMR
2-Thiocoumarin
Common Name: 2-Thiocoumarin
Synonyms: 2-Thiocoumarin
CAS Registry Number:
InChI: InChI=1S/C9H6OS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H
InChIKey: InChIKey=FRZDLTCXOSFHJC-UHFFFAOYSA-N
Formula: C9H6O1S1
Molecular Weight: 162.209757
Exact Mass: 162.013936
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mikhova, B., Duddeck, H. Studies in Natural Products Chemistry (1995) 18, 971-1080
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) | 198 |
| 3 (CH) | 129.7 |
| 4 (CH) | 134.5 |
| 5 (CH) | 127.8 |
| 6 (CH) | 125.5 |
| 7 (CH) | 132.2 |
| 8 (CH) | 116.8 |
| 9 (C) | 156.7 |
| 10 (C) | 120.5 |
Copyright © 2025
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.