| SpectraBase Spectrum ID |
9iJL75acqdi |
| Name |
1,4-Naphthalenedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-3-(phenylthio)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
461.992528514 u |
| 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)C2=C(C1=O)C=CC=C2)SC=1C=CC=CC1)CC(C=1C=CC(=CC1)Br)=O |
![1,4-Naphthalenedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-3-(phenylthio)-](/api/spectrum/9iJL75acqdi/structure.png?h=300&w=458 "1,4-Naphthalenedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-3-(phenylthio)-")
