| SpectraBase Spectrum ID |
HMCD6gpkVop |
| Name |
1,4-Naphthalenedione, 2-[2-(4-nitrophenyl)-2-oxoethyl]-3-(phenylthio)- |
| Alternate Name(s) |
2-(4'-Nitrophenacyl)-3-phenylthio-1,4-naphthoquinone
2-[2-(4-nitrophenyl)-2-oxoethyl]-3-(phenylsulfanyl)naphthoquinone |
| CAS Registry Number |
127636-00-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H15NO5S |
| InChI |
InChI=1S/C24H15NO5S/c26-21(15-10-12-16(13-11-15)25(29)30)14-20-22(27)18-8-4-5-9-19(18)23(28)24(20)31-17-6-2-1-3-7-17/h1-13H,14H2 |
| InChIKey |
GEOAYWSLXANDOQ-UHFFFAOYSA-N |
| Molecular Weight |
429.446 g/mol |
| SMILES |
C1(=C(C(=O)c2c(C1=O)cccc2)Sc1ccccc1)CC(c1ccc(N(=O)=O)cc1)=O |
| SPLASH |
splash10-0002-0009500000-2b0cf5733632bf9a07c6 |
| Source of Spectrum |
KC-1990-443-5 |
| Wiley ID |
1381186 |
![1,4-Naphthalenedione, 2-[2-(4-nitrophenyl)-2-oxoethyl]-3-(phenylthio)-](/api/spectrum/HMCD6gpkVop/structure.png?h=300&w=458 "1,4-Naphthalenedione, 2-[2-(4-nitrophenyl)-2-oxoethyl]-3-(phenylthio)-")
