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3-Methyl-5-(2',2',5',5'-tetramethyl-1',3'-dioxolan-4'-yl)penta-1,4-dien-3-ol

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

3-Methyl-5-(2',2',5',5'-tetramethyl-1',3'-dioxolan-4'-yl)penta-1,4-dien-3-ol
SpectraBase Compound ID 7U7cdQoVlkW
InChI InChI=1S/C13H22O3/c1-7-13(6,14)9-8-10-11(2,3)16-12(4,5)15-10/h7-10,14H,1H2,2-6H3/b9-8+
InChIKey BBUOYPIQVCATOM-CMDGGOBGSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3C9IowvTcVZ
Name 3-Methyl-5-(2',2',5',5'-tetramethyl-1',3'-dioxolan-4'-yl)penta-1,4-dien-3-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.156894565 u
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-7-13(6,14)9-8-10-11(2,3)16-12(4,5)15-10/h7-10,14H,1H2,2-6H3/b9-8+
InChIKey BBUOYPIQVCATOM-CMDGGOBGSA-N
Molecular Weight 226.316 g/mol
SMILES C1(OC(C)(C)C(O1)\C=C\C(C=C)(O)C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94104