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3,3-(Ethylenedioxy)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SpectraBase Compound ID 22Naw1b0Kzt
InChI InChI=1S/C12H20O3/c1-10(2)8-4-5-11(10,3)12(9(8)13)14-6-7-15-12/h8-9,13H,4-7H2,1-3H3
InChIKey CIWODDRXKQTWOE-UHFFFAOYSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BSie5xS9nJL
Name 3,3-(Ethylenedioxy)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.141244501 u
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-10(2)8-4-5-11(10,3)12(9(8)13)14-6-7-15-12/h8-9,13H,4-7H2,1-3H3
InChIKey CIWODDRXKQTWOE-UHFFFAOYSA-N
Molecular Weight 212.289 g/mol
SMILES C12(C3(C(C)(C)C(C2O)CC3)C)OCCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9767