| SpectraBase Spectrum ID |
GIeIuWzz4Ii |
| Name |
3H-Pyrrol-3-one, 4,4-dibromo-4,5-dihydro-5,5-dimethyl-2-phenyl-, 1-oxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.915654596 u |
| Formula |
C12H11Br2NO2 |
| InChI |
InChI=1S/C12H11Br2NO2/c1-11(2)12(13,14)10(16)9(15(11)17)8-6-4-3-5-7-8/h3-7H,1-2H3 |
| InChIKey |
CGEPHSBWUDDPSF-UHFFFAOYSA-N |
| Molecular Weight |
361.033 g/mol |
| SMILES |
C1([N+](=C(C(C1(Br)Br)=O)C1=CC=CC=C1)[O-])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833045 |
