SpectraBase Compound ID | 84mJNBUCOYC |
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InChI | InChI=1S/C13H22O2/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-11-15-13/h5H,2-4,6-11H2,1H3 |
InChIKey | VSDZYWNDQAPNAC-UHFFFAOYSA-N |
Mol Weight | 210.32 g/mol |
Molecular Formula | C13H22O2 |
Exact Mass | 210.16198 g/mol |
SpectraBase Spectrum ID | BgLvlSvWPrG |
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Name | 8-Pentylidene-1,4-dioxaspiro[4.5]decane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 210.161979946 u |
Formula | C13H22O2 |
InChI | InChI=1S/C13H22O2/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-11-15-13/h5H,2-4,6-11H2,1H3 |
InChIKey | VSDZYWNDQAPNAC-UHFFFAOYSA-N |
Molecular Weight | 210.317 g/mol |
SMILES | C1OC2(OC1)CCC(CC2)=CCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.8867 |