SpectraBase Compound ID | 5qvUumpjDiZ |
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InChI | InChI=1S/C3H5IO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m1/s1 |
InChIKey | AGIBHMPYXXPGAX-GSVOUGTGSA-N |
Mol Weight | 183.98 g/mol |
Molecular Formula | C3H5IO |
Exact Mass | 183.93851 g/mol |
SpectraBase Spectrum ID | 1DbYf2ynGt4 |
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Name | 2-(Iodomethyl)oxirane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 183.938509780 u |
Formula | C3H5IO |
InChI | InChI=1S/C3H5IO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m1/s1 |
InChIKey | AGIBHMPYXXPGAX-GSVOUGTGSA-N |
Molecular Weight | 183.976 g/mol |
SMILES | [C@]1(OC1)(CI)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863875 |