| SpectraBase Spectrum ID |
Emu43CQLYkU |
| Name |
Methyl N-[1-(methylthio)-2-nitroethenyl].beta.alaninate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H12N2O4S |
| InChI |
InChI=1S/C7H12N2O4S/c1-13-7(10)3-4-8-6(14-2)5-9(11)12/h5,8H,3-4H2,1-2H3/b6-5- |
| InChIKey |
TWSBIDSYISEJTB-WAYWQWQTSA-N |
| Molecular Weight |
220.243 g/mol |
| SMILES |
N(\C(=C\N(=O)=O)SC)CCC(=O)OC |
| SPLASH |
splash10-000i-9010000000-b65e3fe0da94d28c0f2a |
| Source of Spectrum |
F-49-2106-5 |
| Synonyms |
methyl 3-{[(Z)-1-(methylsulfanyl)-2-nitroethenyl]amino}propanoate |
| Wiley ID |
1219228 |
![Methyl N-[1-(methylthio)-2-nitroethenyl].beta.alaninate](/api/spectrum/Emu43CQLYkU/structure.png?h=300&w=458 "Methyl N-[1-(methylthio)-2-nitroethenyl].beta.alaninate")
