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Neral propylene glycol acetal

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Neral propylene glycol acetal
SpectraBase Compound ID K4pAMoEP8O9
InChI InChI=1S/C13H22O2/c1-10(2)6-5-7-11(3)8-13-14-9-12(4)15-13/h6,8,12-13H,5,7,9H2,1-4H3/b11-8-
InChIKey DWZRENGNFQNWQZ-FLIBITNWSA-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 8i6UyMxSeic
Name Neral propylene glycol acetal
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/c1-10(2)6-5-7-11(3)8-13-14-9-12(4)15-13/h6,8,12-13H,5,7,9H2,1-4H3/b11-8-
InChIKey DWZRENGNFQNWQZ-FLIBITNWSA-N
Molecular Weight 210.317 g/mol
SMILES C1(OC(C)CO1)\C=C/(CCC=C(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879005