| SpectraBase Spectrum ID |
Je1Tbpk7HNy |
| Name |
Methyl 3-methyl-2,4-bis(4-nitrophenyl)butanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.116486302 u |
| Formula |
C18H18N2O6 |
| InChI |
InChI=1S/C18H18N2O6/c1-12(11-13-3-7-15(8-4-13)19(22)23)17(18(21)26-2)14-5-9-16(10-6-14)20(24)25/h3-10,12,17H,11H2,1-2H3 |
| InChIKey |
IVCYCVGLYHEDTG-UHFFFAOYSA-N |
| Molecular Weight |
358.350 g/mol |
| SMILES |
C=1(N(=O)=O)C=CC(C(C(CC=2C=CC(N(=O)=O)=CC2)C)C(=O)OC)=CC1 |
