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(1R,4S,6R)-6,9,9-trimethylbicyclo[4.2.1]nonane-2,4-diol

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

(1R,4S,6R)-6,9,9-trimethylbicyclo[4.2.1]nonane-2,4-diol
SpectraBase Compound ID D3UpHCrXuVu
InChI InChI=1S/C12H22O2/c1-11(2)9-4-5-12(11,3)7-8(13)6-10(9)14/h8-10,13-14H,4-7H2,1-3H3/t8-,9+,10?,12-/m1/s1
InChIKey FPNVEQKCPPPTKN-RXHRYUJKSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 60sJ0MPgByk
Name (1R,4S,6R)-6,9,9-Trimethylbicyclo[4.2.1]nonane-2,4-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.161979946 u
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-11(2)9-4-5-12(11,3)7-8(13)6-10(9)14/h8-10,13-14H,4-7H2,1-3H3/t8-,9+,10?,12-/m1/s1
InChIKey FPNVEQKCPPPTKN-RXHRYUJKSA-N
Molecular Weight 198.306 g/mol
SMILES [C@]12(C([C@@](C(O)C[C@](C2)(O)[H])([H])CC1)(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927193