| SpectraBase Spectrum ID |
Bl9VWY6PrCj |
| Name |
3-Acetoxy-5-methyl-4-nitro-phthalic acid, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.064116375 u |
| Formula |
C13H13NO8 |
| InChI |
InChI=1S/C13H13NO8/c1-6-5-8(12(16)20-3)9(13(17)21-4)11(22-7(2)15)10(6)14(18)19/h5H,1-4H3 |
| InChIKey |
KQOJEGRTHFYTHN-UHFFFAOYSA-N |
| Molecular Weight |
311.246 g/mol |
| SMILES |
C(=O)(C1=C(C(OC)=O)C(=C(C(C)=C1)N(=O)=O)OC(C)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951256 |
