| SpectraBase Spectrum ID |
FYgT50c9hOP |
| Name |
1,4-Naphthalenedione, 2-(3,3-dimethyl-2-oxobutyl)-3-(ethylthio)- |
| Alternate Name(s) |
2-(3,3-dimethyl-2-oxobutyl)-3-(ethylsulfanyl)naphthoquinone
2-Ethylthio-3-(3,3-dimethyl-2-oxobutyl)-1,4-naphthoquinone |
| CAS Registry Number |
127636-06-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H20O3S |
| InChI |
InChI=1S/C18H20O3S/c1-5-22-17-13(10-14(19)18(2,3)4)15(20)11-8-6-7-9-12(11)16(17)21/h6-9H,5,10H2,1-4H3 |
| InChIKey |
PTKPCZFDLIHQSI-UHFFFAOYSA-N |
| Molecular Weight |
316.415 g/mol |
| SMILES |
C1(=C(C(=O)c2c(C1=O)cccc2)SCC)CC(C(C)(C)C)=O |
| SPLASH |
splash10-00lr-0098000000-041432d4693a020f3ff7 |
| Source of Spectrum |
KC-1990-444-6 |
| Wiley ID |
1316763 |
