| SpectraBase Spectrum ID |
6fAtM1XOktH |
| Name |
rac-5-Formyl-4-iodo[2.2]paracyclophane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.016760102 u |
| Formula |
C17H15IO |
| InChI |
InChI=1S/C17H15IO/c18-17-15-8-6-13-3-1-12(2-4-13)5-7-14(9-10-15)16(17)11-19/h1-4,9-11H,5-8H2 |
| InChIKey |
LDQDPZFDRJZAIP-UHFFFAOYSA-N |
| Molecular Weight |
362.210 g/mol |
| SMILES |
C=1(C(=C2C=CC1CCC=1C=CC(CC2)=CC1)I)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869317 |
![rac-5-Formyl-4-iodo[2.2]paracyclophane](/api/spectrum/6fAtM1XOktH/structure.png?h=300&w=458 "rac-5-Formyl-4-iodo[2.2]paracyclophane")
