SpectraBase Compound ID | 8Hs8BfF47vs |
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InChI | InChI=1S/C7H12O2/c1-9-7-4-2-6(8)3-5-7/h7H,2-5H2,1H3 |
InChIKey | XADCKKKOYZJNAR-UHFFFAOYSA-N |
Mol Weight | 128.17 g/mol |
Molecular Formula | C7H12O2 |
Exact Mass | 128.08373 g/mol |
SpectraBase Spectrum ID | FFYjW5F6vSf |
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Name | Cyclohexanone, 4-methoxy- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 128.083729624 u |
Formula | C7H12O2 |
InChI | InChI=1S/C7H12O2/c1-9-7-4-2-6(8)3-5-7/h7H,2-5H2,1H3 |
InChIKey | XADCKKKOYZJNAR-UHFFFAOYSA-N |
SMILES | C1C(CCC(C1)=O)OC |
Spectrum/Structure Validation Score (Raman) | 0.918096 |