SpectraBase Compound ID | 32ku2KuKd03 |
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InChI | InChI=1S/C9H15IO/c1-7(2)3-4-8(10)9-5-6-11-9/h3,8-9H,4-6H2,1-2H3 |
InChIKey | YKBWNLIXNYJSAL-UHFFFAOYSA-N |
Mol Weight | 266.12 g/mol |
Molecular Formula | C9H15IO |
Exact Mass | 266.01676 g/mol |
SpectraBase Spectrum ID | 2CFtAMW2oq6 |
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Name | 2-(1-Iodo-4-methyl-3-pentenyl)oxetane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 266.016760102 u |
Formula | C9H15IO |
InChI | InChI=1S/C9H15IO/c1-7(2)3-4-8(10)9-5-6-11-9/h3,8-9H,4-6H2,1-2H3 |
InChIKey | YKBWNLIXNYJSAL-UHFFFAOYSA-N |
Molecular Weight | 266.122 g/mol |
SMILES | C(=C(C)C)CC(C1OCC1)I |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908209 |