| SpectraBase Spectrum ID |
m205d0AA62 |
| Name |
Ethyl 2-(ethylthio)-3-(2',4',6'-trinitrophenyl)propionate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H15N3O8S |
| InChI |
InChI=1S/C13H15N3O8S/c1-3-24-13(17)12(25-4-2)7-9-10(15(20)21)5-8(14(18)19)6-11(9)16(22)23/h5-6,12H,3-4,7H2,1-2H3 |
| InChIKey |
GPPLRIBXSHXTFW-UHFFFAOYSA-N |
| Molecular Weight |
373.336 g/mol |
| SMILES |
c1(c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O)CC(C(=O)OCC)SCC |
| SPLASH |
splash10-0002-0905000000-e23c660d5bc5fc488b63 |
| Source of Spectrum |
I-80-198-16 |
| Synonyms |
ethyl 2-(ethylsulfanyl)-3-(2,4,6-trinitrophenyl)propanoate |
| Wiley ID |
1517183 |
