| SpectraBase Spectrum ID |
LScxwrozmbl |
| Name |
Tetrahydroxypyrrole-2,5-dione, N-methyl-3-[3-methoxyphenyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
219.089543280 u |
| Formula |
C12H13NO3 |
| InChI |
InChI=1S/C12H13NO3/c1-13-11(14)7-10(12(13)15)8-4-3-5-9(6-8)16-2/h3-6,10H,7H2,1-2H3 |
| InChIKey |
XOPJAFIUZUDTCS-UHFFFAOYSA-N |
| Molecular Weight |
219.240 g/mol |
| SMILES |
C1=C(C=C(C=C1)OC)C1C(N(C(C1)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963329 |
![Tetrahydroxypyrrole-2,5-dione, N-methyl-3-[3-methoxyphenyl]-](/api/spectrum/LScxwrozmbl/structure.png?h=300&w=458 "Tetrahydroxypyrrole-2,5-dione, N-methyl-3-[3-methoxyphenyl]-")
