SpectraBase Compound ID | 8MsZ9MNnBoW |
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InChI | InChI=1S/C10H16O/c1-10(2,8-11)9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3 |
InChIKey | QTXKXAMXKSVUMV-UHFFFAOYSA-N |
Mol Weight | 152.24 g/mol |
Molecular Formula | C10H16O |
Exact Mass | 152.120115 g/mol |
SpectraBase Spectrum ID | 8ffiRU0wkC |
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Name | 2-(1-Cyclohexen-1-yl)-2-methylpropanal |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 152.120115134 u |
Formula | C10H16O |
InChI | InChI=1S/C10H16O/c1-10(2,8-11)9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3 |
InChIKey | QTXKXAMXKSVUMV-UHFFFAOYSA-N |
Molecular Weight | 152.237 g/mol |
SMILES | C1(C(C=O)(C)C)=CCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97671 |