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(1R,2S,3S,5S)-2-Methyl-3,5-di(1-methylethenyl)-1-phenylmethoxycyclohexane

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

(1R,2S,3S,5S)-2-Methyl-3,5-di(1-methylethenyl)-1-phenylmethoxycyclohexane
SpectraBase Compound ID BTAvQypqnGN
InChI InChI=1S/C20H28O/c1-14(2)18-11-19(15(3)4)16(5)20(12-18)21-13-17-9-7-6-8-10-17/h6-10,16,18-20H,1,3,11-13H2,2,4-5H3/t16-,18-,19+,20+/m0/s1
InChIKey MZZOJOWQOCDCIC-IJXRJRJASA-N
Mol Weight 284.44 g/mol
Molecular Formula C20H28O
Exact Mass 284.214016 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID uTDdbsXNNZ
Name (1R,2S,3S,5S)-2-Methyl-3,5-di(1-methylethenyl)-1-phenylmethoxycyclohexane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.214015521 u
Formula C20H28O
InChI InChI=1S/C20H28O/c1-14(2)18-11-19(15(3)4)16(5)20(12-18)21-13-17-9-7-6-8-10-17/h6-10,16,18-20H,1,3,11-13H2,2,4-5H3/t16-,18-,19+,20+/m0/s1
InChIKey MZZOJOWQOCDCIC-IJXRJRJASA-N
SMILES [C@]1(C[C@](C(=C)C)(C[C@]([C@]1(C)[H])(OCC1=CC=CC=C1)[H])[H])(C(=C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953575