| SpectraBase Spectrum ID |
3ONegPg9Y5b |
| Name |
1,4-Naphthalenedione, 2-(3,3-dimethyl-2-oxobutyl)-3-(phenylthio)- |
| Alternate Name(s) |
2-(3,3-dimethyl-2-oxobutyl)-3-(phenylsulfanyl)naphthoquinone
2-(3,3-Dimethyl-2-oxobutyl)-3-phenylthio-1,4-naphthoquinone |
| CAS Registry Number |
127636-04-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H20O3S |
| InChI |
InChI=1S/C22H20O3S/c1-22(2,3)18(23)13-17-19(24)15-11-7-8-12-16(15)20(25)21(17)26-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3 |
| InChIKey |
YSJNVDLWASGCLJ-UHFFFAOYSA-N |
| Molecular Weight |
364.459 g/mol |
| SMILES |
C1(=C(C(=O)c2c(C1=O)cccc2)Sc1ccccc1)CC(C(C)(C)C)=O |
| SPLASH |
splash10-004i-0093000000-93589be2cabced35817a |
| Source of Spectrum |
KC-1990-443-5 |
| Wiley ID |
1350951 |
