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(1S,4R,5R)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-5-yl acetate

View entire compound with spectra: 1 FTIR

(1S,4R,5R)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-5-yl acetate
SpectraBase Compound ID 4orLhoMfB5E
InChI InChI=1S/C12H20O3/c1-8(13)14-10-7-12(4)6-5-9(10)11(2,3)15-12/h9-10H,5-7H2,1-4H3/t9-,10-,12+/m0/s1
InChIKey LUYHJKNQBUWCNY-JBLDHEPKSA-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 LMyTAIAk8NR
Name (1S,4R,5R)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-5-yl acetate
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/c1-8(13)14-10-7-12(4)6-5-9(10)11(2,3)15-12/h9-10H,5-7H2,1-4H3/t9-,10-,12+/m0/s1
InChIKey LUYHJKNQBUWCNY-JBLDHEPKSA-N
Molecular Weight 212.289 g/mol
SMILES C1[C@@]2(C[C@@]([C@](C1)(C(O2)(C)C)[H])(OC(C)=O)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960884