| SpectraBase Spectrum ID |
BTTPFixx9Dy |
| Name |
2-[1-Iodo-1-phenyl-meth-(Z)-ylidene]-cycloheptanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.016760102 u |
| Formula |
C14H15IO |
| InChI |
InChI=1S/C14H15IO/c15-14(11-7-3-1-4-8-11)12-9-5-2-6-10-13(12)16/h1,3-4,7-8H,2,5-6,9-10H2/b14-12- |
| InChIKey |
AEVMZACQZNANER-OWBHPGMISA-N |
| Molecular Weight |
326.177 g/mol |
| SMILES |
C1(\C(=C\2C(=O)CCCCC2)I)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969409 |
![2-[1-Iodo-1-phenyl-meth-(Z)-ylidene]-cycloheptanone](/api/spectrum/BTTPFixx9Dy/structure.png?h=300&w=458 "2-[1-Iodo-1-phenyl-meth-(Z)-ylidene]-cycloheptanone")
