SpectraBase Compound ID | CM5zvITAxNT |
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InChI | InChI=1S/C11H20O2/c1-4-5-6-11(9-10(2)3)12-7-8-13-11/h4,10H,1,5-9H2,2-3H3 |
InChIKey | FDTRICVHMGRZBB-UHFFFAOYSA-N |
Mol Weight | 184.28 g/mol |
Molecular Formula | C11H20O2 |
Exact Mass | 184.14633 g/mol |
SpectraBase Spectrum ID | 1KvkwnVfKHS |
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Name | 2-Methyloct-7-en-4-one ethylene acetal |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 184.146329882 u |
Formula | C11H20O2 |
InChI | InChI=1S/C11H20O2/c1-4-5-6-11(9-10(2)3)12-7-8-13-11/h4,10H,1,5-9H2,2-3H3 |
InChIKey | FDTRICVHMGRZBB-UHFFFAOYSA-N |
Molecular Weight | 184.279 g/mol |
SMILES | C1(OCCO1)(CC(C)C)CCC=C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927806 |