SpectraBase Compound ID | G1qEbrGSfp8 |
---|---|
InChI | InChI=1S/C5H8INO2/c6-1-2-7-3-4-9-5(7)8/h1-4H2 |
InChIKey | AXABFVNBDHMCDU-UHFFFAOYSA-N |
Mol Weight | 241.03 g/mol |
Molecular Formula | C5H8INO2 |
Exact Mass | 240.959973 g/mol |
SpectraBase Spectrum ID | 6rfokoyBHQ9 |
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Name | 3-[2-Iodoethyl]-2-oxazolidinone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 240.959973500 u |
Formula | C5H8INO2 |
InChI | InChI=1S/C5H8INO2/c6-1-2-7-3-4-9-5(7)8/h1-4H2 |
InChIKey | AXABFVNBDHMCDU-UHFFFAOYSA-N |
Molecular Weight | 241.028 g/mol |
SMILES | C1(N(CCO1)CCI)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924503 |