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(4R*,5S*,6R*)-4,5-Dimethyl-6-isopropyl-tetrahydropyran-2-one
SpectraBase Compound ID CmUsIoeKUM4
InChI InChI=1S/C10H18O2/c1-6(2)10-8(4)7(3)5-9(11)12-10/h6-8,10H,5H2,1-4H3/t7-,8+,10-/m0/s1
InChIKey NAEXHYHFZXWGAK-XKSSXDPKSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AP0ZJ3w4Ez8
Name (4R*,5S*,6R*)-4,5-Dimethyl-6-isopropyl-tetrahydropyran-2-one
Alternate Name(s) (4R*,6R*,5S*)-4,5-Dimethyl-6-isopropyl-tetrahydropyran-2-one (4S,5R,6S)-6-isopropyl-4,5-dimethyltetrahydro-2H-pyran-2-one (4S,5R,6S)-4,5-dimethyl-6-propan-2-yl-2-oxanone (4S,5R,6S)-4,5-dimethyl-6-propan-2-yloxan-2-one (4S,5R,6S)-4,5-dimethyl-6-propan-2-yl-oxan-2-one
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Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-6(2)10-8(4)7(3)5-9(11)12-10/h6-8,10H,5H2,1-4H3/t7-,8+,10-/m0/s1
InChIKey NAEXHYHFZXWGAK-XKSSXDPKSA-N
Molecular Weight 170.252 g/mol
SMILES [C@@]1(OC(=O)C[C@@]([C@]1(C)[H])(C)[H])(C(C)C)[H]
SPLASH splash10-004j-6900000000-da3761e1166565a3e482
Source of Spectrum F5-2-2401-48
Wiley ID 1731936