SpectraBase Compound ID | L1djTcGohUs |
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InChI | InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2 |
InChIKey | SXVPOSFURRDKBO-UHFFFAOYSA-N |
Mol Weight | 182.31 g/mol |
Molecular Formula | C12H22O |
Exact Mass | 182.167065 g/mol |
SpectraBase Spectrum ID | Erq4uWsZhM5 |
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Name | Cyclododecanone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 182.167065327 u |
Formula | C12H22O |
InChI | InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2 |
InChIKey | SXVPOSFURRDKBO-UHFFFAOYSA-N |
Molecular Weight | 182.307 g/mol |
SMILES | C1CCC(CCCCCCCC1)=O |
Spectrum/Structure Validation Score (Raman) | 0.971609 |