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(1S,2S,5R)-2-isopropyl-5-methyl-1-phenyl-cyclohexanol

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

(1S,2S,5R)-2-isopropyl-5-methyl-1-phenyl-cyclohexanol
SpectraBase Compound ID FvbnHeyTd0g
InChI InChI=1S/C16H24O/c1-12(2)15-10-9-13(3)11-16(15,17)14-7-5-4-6-8-14/h4-8,12-13,15,17H,9-11H2,1-3H3/t13-,15+,16-/m1/s1
InChIKey IYATUXXVPIQZPS-VNQPRFMTSA-N
Mol Weight 232.37 g/mol
Molecular Formula C16H24O
Exact Mass 232.182715 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CPyfTtvNFxk
Name (1S,2S,5R)-2-Isopropyl-5-methyl-1-phenyl-cyclohexanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.182715392 u
Formula C16H24O
InChI InChI=1S/C16H24O/c1-12(2)15-10-9-13(3)11-16(15,17)14-7-5-4-6-8-14/h4-8,12-13,15,17H,9-11H2,1-3H3/t13-,15+,16-/m1/s1
InChIKey IYATUXXVPIQZPS-VNQPRFMTSA-N
Molecular Weight 232.367 g/mol
SMILES [C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])(C=1C=CC=CC1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906472