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(1R*,2R*,4R*,5S*)-2,4-Dimethyl-2-(1-oxopropyl)-5-propyl-8-oxabicyclo[3.2.1]octan-3-one

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(1R*,2R*,4R*,5S*)-2,4-Dimethyl-2-(1-oxopropyl)-5-propyl-8-oxabicyclo[3.2.1]octan-3-one
SpectraBase Compound ID WCiEzPLyWm
InChI InChI=1S/C15H24O3/c1-5-8-15-9-7-12(18-15)14(4,11(16)6-2)13(17)10(15)3/h10,12H,5-9H2,1-4H3/t10-,12+,14-,15-/m0/s1
InChIKey DMQRDLHESZLWDA-FDEJFUCISA-N
Mol Weight 252.35 g/mol
Molecular Formula C15H24O3
Exact Mass 252.172545 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K7S4u4DRWlK
Name (1R*,2R*,4R*,5S*)-2,4-Dimethyl-2-(1-oxopropyl)-5-propyl-8-oxabicyclo[3.2.1]octan-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.172544630 u
Formula C15H24O3
InChI InChI=1S/C15H24O3/c1-5-8-15-9-7-12(18-15)14(4,11(16)6-2)13(17)10(15)3/h10,12H,5-9H2,1-4H3/t10-,12+,14-,15-/m0/s1
InChIKey DMQRDLHESZLWDA-FDEJFUCISA-N
Molecular Weight 252.354 g/mol
SMILES [C@@]1(C([C@](C)([C@]2(O[C@@]1(CC2)[H])CCC)[H])=O)(C(=O)CC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957338