SpectraBase Compound ID | Cjm76brBFNE |
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InChI | InChI=1S/C7H10O/c8-6-5-7-3-1-2-4-7/h5-6H,1-4H2 |
InChIKey | YCOLTBFWHMEGQK-UHFFFAOYSA-N |
Mol Weight | 110.16 g/mol |
Molecular Formula | C7H10O |
Exact Mass | 110.073165 g/mol |
SpectraBase Spectrum ID | BjdOP5WRCF3 |
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Name | 2-Cyclopentylideneacetaldehyde |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 110.073164941 u |
Formula | C7H10O |
InChI | InChI=1S/C7H10O/c8-6-5-7-3-1-2-4-7/h5-6H,1-4H2 |
InChIKey | YCOLTBFWHMEGQK-UHFFFAOYSA-N |
Molecular Weight | 110.156 g/mol |
SMILES | C1(=CC=O)CCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968738 |