| SpectraBase Spectrum ID |
HpU5Bc98Rmq |
| Name |
Methyl 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 |
C12H14N2O6S |
| InChI |
InChI=1S/C12H14N2O6S/c1-3-21-11(12(15)20-2)6-8-4-5-9(13(16)17)7-10(8)14(18)19/h4-5,7,11H,3,6H2,1-2H3 |
| InChIKey |
CENWMNLTCISXMG-UHFFFAOYSA-N |
| Molecular Weight |
314.312 g/mol |
| SMILES |
C(C(Cc1c(cc(cc1)N(=O)=O)N(=O)=O)SCC)(=O)OC |
| SPLASH |
splash10-001i-0901000000-8c08c70c7ccc130e7ab4 |
| Source of Spectrum |
I-80-198-17 |
| Synonyms |
methyl 3-(2,4-dinitrophenyl)-2-(ethylsulfanyl)propanoate |
| Wiley ID |
1517181 |
