| SpectraBase Spectrum ID |
4hY19WjWBU |
| Name |
Dimethyl [2-(1,3-benzodioxol-5-yl)-1-(nitromethyl)ethyl]malonate |
| Appearance |
Yellowish oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.095416503 u |
| Formula |
C15H17NO8 |
| InChI |
InChI=1S/C15H17NO8/c1-21-14(17)13(15(18)22-2)10(7-16(19)20)5-9-3-4-11-12(6-9)24-8-23-11/h3-4,6,10,13H,5,7-8H2,1-2H3 |
| InChIKey |
IUYBJHKAUNLQKY-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT TSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201504593 |
| Molecular Weight |
339.300 g/mol |
| Quality |
165 |
| SMILES |
C1(CC(C(C(OC)=O)C(OC)=O)C[N+]([O-])=O)=CC=C2C(=C1)OCO2 |
| SPLASH |
splash10-01p9-0910000000-36fa7bfacbb5db971cd3 |
| Source of Spectrum |
QE-22-SM9-2h (DOI: 10.1002/chem.201504593) |
| Thin-Layer Chromatography |
0.23 (petroleum ether/diethyl ether, 1:1) |
| Wiley ID |
1902985 |
![Dimethyl [2-(1,3-benzodioxol-5-yl)-1-(nitromethyl)ethyl]malonate](/api/spectrum/4hY19WjWBU/structure.png?h=300&w=458 "Dimethyl [2-(1,3-benzodioxol-5-yl)-1-(nitromethyl)ethyl]malonate")
