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1-[2,5-Bis(methoxymethoxy)phenyl]-[2,6,6-trimethylcyclohexenyl]carbinol
SpectraBase Compound ID 3tNpqADkp2q
InChI InChI=1S/C20H30O5/c1-14-7-6-10-20(2,3)18(14)19(21)16-11-15(24-12-22-4)8-9-17(16)25-13-23-5/h8-9,11,19,21H,6-7,10,12-13H2,1-5H3
InChIKey ASGACDPYCVMUTK-UHFFFAOYSA-N
Mol Weight 350.46 g/mol
Molecular Formula C20H30O5
Exact Mass 350.209324 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5tZzEBiMYUn
Name 1-[2,5-bis(Methoxymethoxy)phenyl]-[2,6,6-trimethylcyclohexenyl]carbinol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.209324061 u
Formula C20H30O5
InChI InChI=1S/C20H30O5/c1-14-7-6-10-20(2,3)18(14)19(21)16-11-15(24-12-22-4)8-9-17(16)25-13-23-5/h8-9,11,19,21H,6-7,10,12-13H2,1-5H3
InChIKey ASGACDPYCVMUTK-UHFFFAOYSA-N
Molecular Weight 350.455 g/mol
SMILES C1(C(C=2C(=CC=C(C2)OCOC)OCOC)O)=C(CCCC1(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.897915