Spektraris NMR
Thiochromen-2-one
Common Name: Thiochromen-2-one
Synonyms: Thiochromen-2-one
CAS Registry Number:
InChI: InChI=1S/C9H6OS/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKey: InChIKey=MDYPJPPXVOPUNX-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) | 185.4 |
| 3 (CH) | 126 |
| 4 (CH) | 143.7 |
| 5 (CH) | 130 |
| 6 (CH) | 124.2 |
| 7 (CH) | 131.6 |
| 8 (CH) | 126.5 |
| 9 (C) | 137.7 |
| 10 (C) | 126.2 |
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.