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(4R*,5R*,6S*)-4-Ethyl-4-hydroxy-5-methyl-6-n-proprl-1-oxacyclohexan-2-one
SpectraBase Compound ID AJNLn5b4mST
InChI InChI=1S/C11H20O3/c1-4-6-9-8(3)11(13,5-2)7-10(12)14-9/h8-9,13H,4-7H2,1-3H3/t8-,9+,11-/m1/s1
InChIKey NVXRHHZLWAGBFB-WCABBAIRSA-N
Mol Weight 200.28 g/mol
Molecular Formula C11H20O3
Exact Mass 200.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fvc9tPOxPg5
Name (4R*,5R*,6S*)-4-Ethyl-4-hydroxy-5-methyl-6-n-proprl-1-oxacyclohexan-2-one
CAS Registry Number 135974-00-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O3
InChI InChI=1S/C11H20O3/c1-4-6-9-8(3)11(13,5-2)7-10(12)14-9/h8-9,13H,4-7H2,1-3H3/t8-,9+,11-/m1/s1
InChIKey NVXRHHZLWAGBFB-WCABBAIRSA-N
Molecular Weight 200.278 g/mol
SMILES O[C@@]1(CC(=O)O[C@]([C@]1(C)[H])(CCC)[H])CC
SPLASH splash10-000i-9100000000-cf3dd3ea22bfae7a6c4a
Source of Spectrum C-113-8043-2
Synonyms (4R,5R,6S)-4-ethyl-4-hydroxy-5-methyl-6-propyloxan-2-one
Wiley ID 1197767