SpectraBase Compound ID | 7uCl5peWWBP |
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InChI | InChI=1S/C7H12I2/c1-2-3-4-5-6-7(8)9/h6H,2-5H2,1H3 |
InChIKey | AQZCPSSGZZCENM-UHFFFAOYSA-N |
Mol Weight | 349.98 g/mol |
Molecular Formula | C7H12I2 |
Exact Mass | 349.90284 g/mol |
SpectraBase Spectrum ID | FRQ2XCfIMCj |
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Name | 1,1-Diiodohept-1-ene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 349.902840386 u |
Formula | C7H12I2 |
InChI | InChI=1S/C7H12I2/c1-2-3-4-5-6-7(8)9/h6H,2-5H2,1H3 |
InChIKey | AQZCPSSGZZCENM-UHFFFAOYSA-N |
Molecular Weight | 349.982 g/mol |
SMILES | C(I)(=CCCCCC)I |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.84982 |