| SpectraBase Spectrum ID |
3SN9IauYWJu |
| Name |
Dimethyl [1-(4-methoxybenzyl)-2-nitropropyl]malonate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.131802013 u |
| Formula |
C16H21NO7 |
| InChI |
InChI=1S/C16H21NO7/c1-10(17(20)21)13(14(15(18)23-3)16(19)24-4)9-11-5-7-12(22-2)8-6-11/h5-8,10,13-14H,9H2,1-4H3 |
| InChIKey |
XTDZRIGSCNDYHF-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT TSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201504593 |
| Molecular Weight |
339.344 g/mol |
| Quality |
136 |
| Reported Formula |
C16H21NO7 |
| SMILES |
C=1(CC(C(C(OC)=O)C(=O)OC)C(C)[N+]([O-])=O)C=CC(=CC1)OC |
| SPLASH |
splash10-03r0-0900000000-c8eaa8dca07268f5bd88 |
| Sample Comments |
dr = 80:20 |
| Source of Spectrum |
QE-22-SM14-2o (DOI: 10.1002/chem.201504593) |
| Thin-Layer Chromatography |
0.55 (minor), 0.50 (major) (petroleum ether/diethyl ether, 1:1) |
| Wiley ID |
1902990 |
![Dimethyl [1-(4-methoxybenzyl)-2-nitropropyl]malonate](/api/spectrum/3SN9IauYWJu/structure.png?h=300&w=458 "Dimethyl [1-(4-methoxybenzyl)-2-nitropropyl]malonate")
