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(1S-(1Alpha,2alpha,4beta))-1-isopropenyl-4-methyl-1,2-cyclohexanediol
SpectraBase Compound ID 3jtP8OgxtLL
InChI InChI=1S/C10H18O2/c1-7(2)10(12)5-4-8(3)6-9(10)11/h8-9,11-12H,1,4-6H2,2-3H3
InChIKey VQUDROQOTVEBFZ-UHFFFAOYSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BmBx1a11DPQ
Name (1S-(1Alpha,2alpha,4beta))-1-isopropenyl-4-methyl-1,2-cyclohexanediol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 170.130679818 u
Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-7(2)10(12)5-4-8(3)6-9(10)11/h8-9,11-12H,1,4-6H2,2-3H3
InChIKey VQUDROQOTVEBFZ-UHFFFAOYSA-N
Molecular Weight 170.252 g/mol
SMILES C1CC(C(CC1C)O)(O)C(=C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935913