| SpectraBase Spectrum ID |
7Wz4DDFypfB |
| Name |
Dimethyl [2-(5-methyl-2-thienyl)-1-(nitromethyl)ethyl]malonate |
| Appearance |
Orange oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.077658439 u |
| Formula |
C13H17NO6S |
| InChI |
InChI=1S/C13H17NO6S/c1-8-4-5-10(21-8)6-9(7-14(17)18)11(12(15)19-2)13(16)20-3/h4-5,9,11H,6-7H2,1-3H3 |
| InChIKey |
ZYUAKLZXNXRTMC-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT TSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201504593 |
| Molecular Weight |
315.340 g/mol |
| Quality |
110 |
| SMILES |
C=1(CC(C(C(OC)=O)C(OC)=O)C[N+]([O-])=O)SC(=CC1)C |
| SPLASH |
splash10-01p9-0900000000-9e4f4442dbd85309e5cf |
| Source of Spectrum |
QE-22-SM12-2m (DOI: 10.1002/chem.201504593) |
| Thin-Layer Chromatography |
0.50 (petroleum ether/diethyl ether, 1:1) |
| Wiley ID |
1902988 |
![Dimethyl [2-(5-methyl-2-thienyl)-1-(nitromethyl)ethyl]malonate](/api/spectrum/7Wz4DDFypfB/structure.png?h=300&w=458 "Dimethyl [2-(5-methyl-2-thienyl)-1-(nitromethyl)ethyl]malonate")
