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(4R*,5S*)-4-tert-Butyl-4-hydroxy-5-methyl-1-oxacyclohexan-2-one
SpectraBase Compound ID 8yNHWiyZaPk
InChI InChI=1S/C10H18O3/c1-7-6-13-8(11)5-10(7,12)9(2,3)4/h7,12H,5-6H2,1-4H3/t7-,10+/m0/s1
InChIKey ZMTJEAWQTOUYMM-OIBJUYFYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IN37G0slWq2
Name (4R*,5S*)-4-tert-Butyl-4-hydroxy-5-methyl-1-oxacyclohexan-2-one
Alternate Name(s) (4R,5S)-4-tert-butyl-4-hydroxy-5-methyloxan-2-one
CAS Registry Number 136085-25-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-7-6-13-8(11)5-10(7,12)9(2,3)4/h7,12H,5-6H2,1-4H3/t7-,10+/m0/s1
InChIKey ZMTJEAWQTOUYMM-OIBJUYFYSA-N
Molecular Weight 186.251 g/mol
SMILES O[C@@]1(CC(=O)OC[C@@]1(C)[H])C(C)(C)C
SPLASH splash10-00dr-9400000000-8f073bdc35e2bc50d02e
Source of Spectrum C-113-8042-2
Wiley ID 1182869