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[1S-(cis)]-3,3,5,5,9-pentamethyl-2,4-dioxabicyclo[4.4.0]dec-8-ene
SpectraBase Compound ID BA5P8ernQ9W
InChI InChI=1S/C13H22O2/c1-9-6-7-10-11(8-9)14-13(4,5)15-12(10,2)3/h6,10-11H,7-8H2,1-5H3/t10-,11+/m1/s1
InChIKey VACHSQRELIHMIC-MNOVXSKESA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3VBS9odkmCi
Name [1S-(cis)]-3,3,5,5,9-Pentamethyl-2,4-dioxabicyclo[4.4.0]dec-8-ene
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/c1-9-6-7-10-11(8-9)14-13(4,5)15-12(10,2)3/h6,10-11H,7-8H2,1-5H3/t10-,11+/m1/s1
InChIKey VACHSQRELIHMIC-MNOVXSKESA-N
Molecular Weight 210.317 g/mol
SMILES C1([C@]2([C@](CC(=CC2)C)(OC(O1)(C)C)[H])[H])(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956245