| SpectraBase Spectrum ID |
Lq9U96EY8Pi |
| Name |
1,4-Naphthalenedione, 2-(2-oxocyclopentyl)-3-(phenylthio)- |
| Alternate Name(s) |
2-(2-oxocyclopentyl)-3-(phenylsulfanyl)naphthoquinone
2-(2-Oxocyclopentyl)-3-phenylthio-1,4-naphthoquinone |
| CAS Registry Number |
119449-65-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H16O3S |
| InChI |
InChI=1S/C21H16O3S/c22-17-12-6-11-16(17)18-19(23)14-9-4-5-10-15(14)20(24)21(18)25-13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2 |
| InChIKey |
AHJHKUMAWSPCJW-UHFFFAOYSA-N |
| Molecular Weight |
348.416 g/mol |
| SMILES |
C1(=C(C(=O)c2c(C1=O)cccc2)Sc1ccccc1)C1C(=O)CCC1 |
| SPLASH |
splash10-000i-0094000000-a3b33b7827bf39898dff |
| Source of Spectrum |
KC-1990-443-4 |
| Wiley ID |
1340758 |
