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Trans-4-hydroxy-4-methylcyclohexyl acetate

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

Trans-4-hydroxy-4-methylcyclohexyl acetate
SpectraBase Compound ID Hw10QOjre4r
InChI InChI=1S/C9H16O3/c1-7(10)12-8-3-5-9(2,11)6-4-8/h8,11H,3-6H2,1-2H3/t8-,9-
InChIKey CMRAWHCUJURZFU-KYZUINATSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K5Sd0WYOVAm
Name Trans-4-hydroxy-4-methylcyclohexyl acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 172.109944372 u
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-7(10)12-8-3-5-9(2,11)6-4-8/h8,11H,3-6H2,1-2H3/t8-,9-
InChIKey CMRAWHCUJURZFU-KYZUINATSA-N
Molecular Weight 172.224 g/mol
SMILES C(O[C@]1(CC[C@@](CC1)(O)C)[H])(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975458