| SpectraBase Spectrum ID |
3NIW2DICpko |
| Name |
1-[4-[Chloro(difluoro)methoxy]phenyl]-3-(piperonylamino)pyrrolidine-2,5-quinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.063755612 u |
| Formula |
C19H15ClF2N2O5 |
| InChI |
InChI=1S/C19H15ClF2N2O5/c20-19(21,22)29-13-4-2-12(3-5-13)24-17(25)8-14(18(24)26)23-9-11-1-6-15-16(7-11)28-10-27-15/h1-7,14,23H,8-10H2 |
| InChIKey |
IQLIMZOZOIOOJT-UHFFFAOYSA-N |
| Molecular Weight |
424.788 g/mol |
| SMILES |
C=1C(OC(Cl)(F)F)=CC=C(N2C(CC(C2=O)NCC=2C=C3OCOC3=CC2)=O)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906149 |
![1-[4-[Chloro(difluoro)methoxy]phenyl]-3-(piperonylamino)pyrrolidine-2,5-quinone](/api/spectrum/3NIW2DICpko/structure.png?h=300&w=458 "1-[4-[Chloro(difluoro)methoxy]phenyl]-3-(piperonylamino)pyrrolidine-2,5-quinone")
