| SpectraBase Spectrum ID |
AuzPEYRfzM |
| Name |
Ethyl 2-(ethylthio)-3-(2',4'-dinitrophenyl)propionate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16N2O6S |
| InChI |
InChI=1S/C13H16N2O6S/c1-3-21-13(16)12(22-4-2)7-9-5-6-10(14(17)18)8-11(9)15(19)20/h5-6,8,12H,3-4,7H2,1-2H3 |
| InChIKey |
JQBKMZYYRSLSHY-UHFFFAOYSA-N |
| Molecular Weight |
328.339 g/mol |
| SMILES |
C(C(Cc1c(cc(cc1)N(=O)=O)N(=O)=O)SCC)(=O)OCC |
| SPLASH |
splash10-0002-0903000000-3731708ffa2800fcc31d |
| Source of Spectrum |
I-80-198-17 |
| Synonyms |
ethyl 3-(2,4-dinitrophenyl)-2-(ethylsulfanyl)propanoate |
| Wiley ID |
1517182 |
