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(3S,5R,6S)-3,5-dimethyl-6-propan-2-yl-2-oxanone
SpectraBase Compound ID 8Fx8iNrmXFv
InChI InChI=1S/C10H18O2/c1-6(2)9-7(3)5-8(4)10(11)12-9/h6-9H,5H2,1-4H3/t7-,8+,9+/m1/s1
InChIKey HTAYHYIXWTXAKV-VGMNWLOBSA-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 4Q9oQHT61T0
Name (3S,5R,6S)-3,5-dimethyl-6-propan-2-yl-2-oxanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-6(2)9-7(3)5-8(4)10(11)12-9/h6-9H,5H2,1-4H3/t7-,8+,9+/m1/s1
InChIKey HTAYHYIXWTXAKV-VGMNWLOBSA-N
Molecular Weight 170.252 g/mol
SMILES C1(O[C@]([C@@](C[C@@]1(C)[H])(C)[H])(C(C)C)[H])=O
SPLASH splash10-004j-6900000000-b60c35d12890608b1e1a
Source of Spectrum F5-2-2401-45
Synonyms (3S,5R,6S)-3,5-dimethyl-6-propan-2-yl-oxan-2-one (3S*,5R*,6S*)-3,5-Dimethyl-6-isopropyl-tetrahydropyran-2-one (3S,5R,6S)-6-isopropyl-3,5-dimethyl-tetrahydropyran-2-one (3S*,6S*,5R*)-3,5-Dimethyl-6-isopropyl-tetrahydropyran-2-one (3S,5R,6S)-6-isopropyl-3,5-dimethyltetrahydro-2H-pyran-2-one (3S,5R,6S)-3,5-dimethyl-6-propan-2-yloxan-2-one
Wiley ID 1731938