| SpectraBase Spectrum ID |
59vqB9NtBGu |
| Name |
1,4-Naphthalenedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-3-(phenylthio)- |
| CAS Registry Number |
127635-98-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H15BrO3S |
| InChI |
InChI=1S/C24H15BrO3S/c25-16-12-10-15(11-13-16)21(26)14-20-22(27)18-8-4-5-9-19(18)23(28)24(20)29-17-6-2-1-3-7-17/h1-13H,14H2 |
| InChIKey |
OCPFGDYTCVNZLH-UHFFFAOYSA-N |
| Molecular Weight |
463.345 g/mol |
| SMILES |
C1(=C(C(=O)c2c(C1=O)cccc2)Sc1ccccc1)CC(c1ccc(cc1)Br)=O |
| SPLASH |
splash10-03di-0000900000-5a6ee1fae8b272618474 |
| Source of Spectrum |
KC-1990-443-5 |
| Synonyms |
2-(4'-Bromophenacyl)-3-phenylthio-1,4-naphthoquinone
2-[2-(4-bromophenyl)-2-oxoethyl]-3-(phenylsulfanyl)naphthoquinone |
| Wiley ID |
1390989 |
![1,4-Naphthalenedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-3-(phenylthio)-](/api/spectrum/59vqB9NtBGu/structure.png?h=300&w=458 "1,4-Naphthalenedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-3-(phenylthio)-")
