SpectraBase Compound ID | Cm3p8vhoSLM |
---|---|
InChI | InChI=1S/C10H18O3/c1-12-8-9(11)10(13-2)6-4-3-5-7-10/h3-8H2,1-2H3 |
InChIKey | FWRUHTVASXAXTC-UHFFFAOYSA-N |
Mol Weight | 186.25 g/mol |
Molecular Formula | C10H18O3 |
Exact Mass | 186.125594 g/mol |
SpectraBase Spectrum ID | 3f0yaolkylZ |
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Name | Ethanone, 2-methoxy-1-(1-methoxycyclohexyl)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 186.125594437 u |
Formula | C10H18O3 |
InChI | InChI=1S/C10H18O3/c1-12-8-9(11)10(13-2)6-4-3-5-7-10/h3-8H2,1-2H3 |
InChIKey | FWRUHTVASXAXTC-UHFFFAOYSA-N |
Molecular Weight | 186.251 g/mol |
SMILES | C1(CCCCC1)(OC)C(COC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88987 |