| SpectraBase Spectrum ID |
DpwAmCVoftV |
| Name |
2-[1-Iodo-1-(benzyloxy)ethylene]cycloheptanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.042974850 u |
| Formula |
C16H19IO2 |
| InChI |
InChI=1S/C16H19IO2/c17-16(19-12-13-7-3-1-4-8-13)11-14-9-5-2-6-10-15(14)18/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2/b16-11- |
| InChIKey |
VFSUJWBAKDTDJK-WJDWOHSUSA-N |
| Molecular Weight |
370.230 g/mol |
| SMILES |
C(O\C(=C/C1C(=O)CCCCC1)I)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811979 |
![2-[1-Iodo-1-(benzyloxy)ethylene]cycloheptanone](/api/spectrum/DpwAmCVoftV/structure.png?h=300&w=458 "2-[1-Iodo-1-(benzyloxy)ethylene]cycloheptanone")
