SpectraBase Compound ID | CcZ0pQeB384 |
---|---|
InChI | InChI=1S/C7H7I/c8-7-5-3-1-2-4-6-7/h1-7H |
InChIKey | AQWWXWSXTIHEKS-UHFFFAOYSA-N |
Mol Weight | 218.04 g/mol |
Molecular Formula | C7H7I |
Exact Mass | 217.959245 g/mol |
SpectraBase Spectrum ID | FGNAxIDFAYU |
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Name | Cycloheptatrienylium, iodide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 217.959245225 u |
Formula | C7H7I |
InChI | InChI=1S/C7H7I/c8-7-5-3-1-2-4-6-7/h1-7H |
InChIKey | AQWWXWSXTIHEKS-UHFFFAOYSA-N |
Molecular Weight | 218.037 g/mol |
SMILES | C=1C=CC(C=CC1)I |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930317 |