| SpectraBase Spectrum ID |
IfPwxK8cpu4 |
| Name |
1,4-Naphthalenedione, 2-[2-(2-chlorophenyl)-2-oxoethyl]-3-(phenylthio)- |
| Alternate Name(s) |
2-(2'-Chlorophenacyl)-3-phenylthio-1,4-naphthoquinone
2-[2-(2-chlorophenyl)-2-oxoethyl]-3-(phenylsulfanyl)naphthoquinone |
| CAS Registry Number |
127636-01-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H15ClO3S |
| InChI |
InChI=1S/C24H15ClO3S/c25-20-13-7-6-12-18(20)21(26)14-19-22(27)16-10-4-5-11-17(16)23(28)24(19)29-15-8-2-1-3-9-15/h1-13H,14H2 |
| InChIKey |
BNCACDMTLSQXOX-UHFFFAOYSA-N |
| Molecular Weight |
418.894 g/mol |
| SMILES |
C1(=C(C(=O)c2c(C1=O)cccc2)Sc1ccccc1)CC(c1c(Cl)cccc1)=O |
| SPLASH |
splash10-066r-0006900000-e47b67ba1780acae760f |
| Source of Spectrum |
KC-1990-443-5 |
| Wiley ID |
1377232 |
![1,4-Naphthalenedione, 2-[2-(2-chlorophenyl)-2-oxoethyl]-3-(phenylthio)-](/api/spectrum/IfPwxK8cpu4/structure.png?h=300&w=458 "1,4-Naphthalenedione, 2-[2-(2-chlorophenyl)-2-oxoethyl]-3-(phenylthio)-")
