SpectraBase Compound ID | 3SZEOSIdVz5 |
---|---|
InChI | InChI=1S/C9H14O2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h3,7H,1-2,4-6,8H2 |
InChIKey | FZOYTBAOVIOBAN-UHFFFAOYSA-N |
Mol Weight | 154.21 g/mol |
Molecular Formula | C9H14O2 |
Exact Mass | 154.09938 g/mol |
SpectraBase Spectrum ID | COeLKfcohUZ |
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Name | 1,7-Dioxaspiro[5.5]undec-2-ene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 154.099379689 u |
Formula | C9H14O2 |
InChI | InChI=1S/C9H14O2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h3,7H,1-2,4-6,8H2 |
InChIKey | FZOYTBAOVIOBAN-UHFFFAOYSA-N |
Molecular Weight | 154.209 g/mol |
SMILES | C1=COC2(CC1)CCCCO2 |
Spectrum/Structure Validation Score (Raman) | 0.933748 |