| SpectraBase Spectrum ID |
9IIwnhYdgo9 |
| Name |
Dimethyl (5-methoxy-2-nitrophenyl)malonoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
283.069201756 u |
| Formula |
C12H13NO7 |
| InChI |
InChI=1S/C12H13NO7/c1-18-7-4-5-9(13(16)17)8(6-7)10(11(14)19-2)12(15)20-3/h4-6,10H,1-3H3 |
| InChIKey |
TXUMFFPTLLJVOW-UHFFFAOYSA-N |
| SMILES |
C=1C(=CC(C(C(OC)=O)C(OC)=O)=C([N+](=O)[O-])C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810584 |
