| SpectraBase Spectrum ID |
Eiau5aG7r1s |
| Name |
(E)-1-Iodo-4-(9-anthryl)but-3-en-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.001110038 u |
| Formula |
C18H13IO |
| InChI |
InChI=1S/C18H13IO/c19-12-15(20)9-10-18-16-7-3-1-5-13(16)11-14-6-2-4-8-17(14)18/h1-11H,12H2/b10-9+ |
| InChIKey |
BUZGUHGQTAIQLR-MDZDMXLPSA-N |
| Molecular Weight |
372.205 g/mol |
| SMILES |
C1(\C=C\C(=O)CI)=C2C(C=CC=C2)=CC=2C1=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847677 |
