SpectraBase Compound ID | 6qif9GRLTIQ |
---|---|
InChI | InChI=1S/C6H8O/c1-4-5-2-3-7-6(4)5/h2-6H,1H3 |
InChIKey | MZOXLIGSIPRRPT-UHFFFAOYSA-N |
Mol Weight | 96.13 g/mol |
Molecular Formula | C6H8O |
Exact Mass | 96.057515 g/mol |
SpectraBase Spectrum ID | AVUinvh72uF |
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Name | exo-6-Methyl-2-oxabicyclo[3.1.0]hex-3-ene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 96.057514877 u |
Formula | C6H8O |
InChI | InChI=1S/C6H8O/c1-4-5-2-3-7-6(4)5/h2-6H,1H3 |
InChIKey | MZOXLIGSIPRRPT-UHFFFAOYSA-N |
Molecular Weight | 96.129 g/mol |
SMILES | C12C(C=CO2)C1C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857501 |