SpectraBase Compound ID | Db11QB0I1uI |
---|---|
InChI | InChI=1S/C6H12I2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2 |
InChIKey | BCAGFJXMCZSAHD-UHFFFAOYSA-N |
Mol Weight | 369.97 g/mol |
Molecular Formula | C6H12I2O2 |
Exact Mass | 369.89267 g/mol |
SpectraBase Spectrum ID | 6zNlsH2lwoZ |
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Name | 1,2-bis(2-Iodoethoxy)ethane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 369.892669624 u |
Formula | C6H12I2O2 |
InChI | InChI=1S/C6H12I2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2 |
InChIKey | BCAGFJXMCZSAHD-UHFFFAOYSA-N |
Molecular Weight | 369.969 g/mol |
SMILES | C(I)COCCOCCI |
Spectrum/Structure Validation Score (Raman) | 0.852899 |