| SpectraBase Spectrum ID |
2xKGqPqgfS7 |
| Name |
1-Methyl-3-[1-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-[oxidanyl(phenyl)methyl]pyrrolidine-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.121571683 u |
| Formula |
C17H18N2O5 |
| InChI |
InChI=1S/C17H18N2O5/c1-18-11(20)8-10(15(18)22)12-13(17(24)19(2)16(12)23)14(21)9-6-4-3-5-7-9/h3-7,10,12-14,21H,8H2,1-2H3 |
| InChIKey |
CFJPLBHLRQSSBV-UHFFFAOYSA-N |
| Molecular Weight |
330.340 g/mol |
| SMILES |
C1(N(C(C(C1C(C1=CC=CC=C1)O)C1C(N(C)C(C1)=O)=O)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961466 |
![1-Methyl-3-[1-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-[oxidanyl(phenyl)methyl]pyrrolidine-2,5-dione](/api/spectrum/2xKGqPqgfS7/structure.png?h=300&w=458 "1-Methyl-3-[1-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-[oxidanyl(phenyl)methyl]pyrrolidine-2,5-dione")
