SpectraBase Compound ID | IpxfZCtb5J6 |
---|---|
InChI | InChI=1S/C13H22O/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h11-12H,1-10H2 |
InChIKey | KRLCWBWDWZZTAK-UHFFFAOYSA-N |
Mol Weight | 194.32 g/mol |
Molecular Formula | C13H22O |
Exact Mass | 194.167065 g/mol |
SpectraBase Spectrum ID | AagIJHlpPhk |
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Name | 3-(Cyclohexylmethyl)cyclohexanone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 194.167065327 u |
Formula | C13H22O |
InChI | InChI=1S/C13H22O/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h11-12H,1-10H2 |
InChIKey | KRLCWBWDWZZTAK-UHFFFAOYSA-N |
Molecular Weight | 194.318 g/mol |
SMILES | C1(=O)CC(CC2CCCCC2)CCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983342 |