| SpectraBase Spectrum ID |
5QE1bchurNn |
| Name |
1,4-Naphthalenedione, 2-(ethylthio)-3-(2-oxopropyl)- |
| Alternate Name(s) |
2-(ethylsulfanyl)-3-(2-oxopropyl)naphthoquinone
2-Acetonyl-3-ethylthio-1,4-naphthoquinone |
| CAS Registry Number |
129155-28-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H14O3S |
| InChI |
InChI=1S/C15H14O3S/c1-3-19-15-12(8-9(2)16)13(17)10-6-4-5-7-11(10)14(15)18/h4-7H,3,8H2,1-2H3 |
| InChIKey |
BGABUPFFXJYNMP-UHFFFAOYSA-N |
| Molecular Weight |
274.334 g/mol |
| SMILES |
C1(=C(C(=O)c2c(C1=O)cccc2)SCC)CC(=O)C |
| SPLASH |
splash10-00e9-0090000000-aba4697afefeec41fe8d |
| Source of Spectrum |
KC-1990-444-6 |
| Wiley ID |
1278016 |
