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3-[4'-(Methoxyphenyl)methoxy]-4,6,6-trimethyl-5-methylenebicyclo[2.2.2]octan-2-ol
SpectraBase Compound ID 9AoJ5xK8lES
InChI InChI=1S/C20H28O3/c1-13-19(2,3)16-10-11-20(13,4)18(17(16)21)23-12-14-6-8-15(22-5)9-7-14/h6-9,16-18,21H,1,10-12H2,2-5H3
InChIKey CXATWGPTWOZUMX-UHFFFAOYSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 38U5OSFNGfp
Name 3-[4'-(Methoxyphenyl)methoxy]-4,6,6-trimethyl-5-methylenebicyclo[2.2.2]octan-2-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.203844759 u
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-13-19(2,3)16-10-11-20(13,4)18(17(16)21)23-12-14-6-8-15(22-5)9-7-14/h6-9,16-18,21H,1,10-12H2,2-5H3
InChIKey CXATWGPTWOZUMX-UHFFFAOYSA-N
Molecular Weight 316.441 g/mol
SMILES C12(C(C(C)(C)C(CC2)C(C1OCC=1C=CC(=CC1)OC)O)=C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934644