SpectraBase Compound ID | 9bIJeL7vdHg |
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InChI | InChI=1S/C18H32OS/c1-3-4-5-9-12-17(18(19)13-14-20-2)15-16-10-7-6-8-11-16/h15,17H,3-14H2,1-2H3 |
InChIKey | JKLJINIIUIFWSY-UHFFFAOYSA-N |
Mol Weight | 296.5 g/mol |
Molecular Formula | C18H32OS |
Exact Mass | 296.217387 g/mol |
SpectraBase Spectrum ID | K0TMQdh0u0r |
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Name | 4-(Cyclohexylidenemethyl)-1-(methylthio)decan-3-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 296.217386823 u |
Formula | C18H32OS |
InChI | InChI=1S/C18H32OS/c1-3-4-5-9-12-17(18(19)13-14-20-2)15-16-10-7-6-8-11-16/h15,17H,3-14H2,1-2H3 |
InChIKey | JKLJINIIUIFWSY-UHFFFAOYSA-N |
SMILES | C(C(C(=O)CCSC)CCCCCC)=C1CCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909039 |