| SpectraBase Compound ID | FPsbWAJRVfH |
|---|---|
| InChI | InChI=1S/C11H6O2S/c14-11-2-1-7-5-8-3-4-12-9(8)6-10(7)13-11/h1-6H |
| InChIKey | VBQCDTDLNOYAAL-UHFFFAOYSA-N |
| Mol Weight | 202.23 g/mol |
| Molecular Formula | C11H6O2S |
| Exact Mass | 202.008851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5eQX8bfiRkM |
|---|---|
| Name | 2-Thiono-psoralen |
| CAS Registry Number | 77151-76-9 |
| Comments | FROM EARLIER PAPER BY DUDDECK |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C11H6O2S |
| InChI | InChI=1S/C11H6O2S/c14-11-2-1-7-5-8-3-4-12-9(8)6-10(7)13-11/h1-6H |
| InChIKey | VBQCDTDLNOYAAL-UHFFFAOYSA-N |
| Literature Reference | H. Duddeck, M. Kaiser, Org. Magn. Resonance 20, 55 (1982). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |