| SpectraBase Spectrum ID |
6nqdyWoBtq |
| Name |
1,4-Naphthalenedione, 2-(ethylthio)-3-(2-oxo-2-phenylethyl)- |
| Alternate Name(s) |
2-(ethylsulfanyl)-3-(2-oxo-2-phenylethyl)naphthoquinone
2-Ethylthio-3-phenacyl-1,4-naphthoquinone |
| CAS Registry Number |
127636-05-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H16O3S |
| InChI |
InChI=1S/C20H16O3S/c1-2-24-20-16(12-17(21)13-8-4-3-5-9-13)18(22)14-10-6-7-11-15(14)19(20)23/h3-11H,2,12H2,1H3 |
| InChIKey |
ZGRWNZLZEWYGQX-UHFFFAOYSA-N |
| Molecular Weight |
336.405 g/mol |
| SMILES |
C1(=C(C(=O)c2c(C1=O)cccc2)SCC)CC(=O)c1ccccc1 |
| SPLASH |
splash10-0a4i-0900000000-c1276eacdbffe6d516ef |
| Source of Spectrum |
KC-1990-444-6 |
| Wiley ID |
1332456 |
