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(1R*,2R*,5S*)-2-Methyl-2-(1-oxoethyl)-5-propyl-8-oxabicyclo[3.2.1]oct-3-one
SpectraBase Compound ID IUwEdKFFRm
InChI InChI=1S/C13H20O3/c1-4-5-13-7-6-12(3,16-13)11(9(2)14)10(15)8-13/h11H,4-8H2,1-3H3/t11-,12+,13+/m1/s1
InChIKey IGRZAYAKPCYAEX-AGIUHOORSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOI1KYW4eB3
Name (1R*,2R*,5S*)-2-Methyl-2-(1-oxoethyl)-5-propyl-8-oxabicyclo[3.2.1]oct-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-4-5-13-7-6-12(3,16-13)11(9(2)14)10(15)8-13/h11H,4-8H2,1-3H3/t11-,12+,13+/m1/s1
InChIKey IGRZAYAKPCYAEX-AGIUHOORSA-N
Molecular Weight 224.300 g/mol
SMILES [C@]12([C@@](C(=O)C[C@](O2)(CCC)CC1)(C(=O)C)[H])C
SPLASH splash10-0005-9600000000-794cb15faf36f2fb04d7
Source of Spectrum C-115-842-13
Synonyms (1R,2R,5S)-2-acetyl-1-methyl-5-propyl-8-oxabicyclo[3.2.1]octan-3-one
Wiley ID 1225369