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4-[1,2-Dimethyl-6-(2-trimethylsilanyl-ethoxymethoxy)-yclohexyl]but-3-en-2-one
SpectraBase Compound ID 4EFUbQV63CK
InChI InChI=1S/C8H16.C6H16O2Si.C4H10O/c1-7-5-3-4-6-8(7)2;1-9(2,3)5-4-8-6-7;1-3-4(2)5/h7-8H,3-6H2,1-2H3;7H,4-6H2,1-3H3;4-5H,3H2,1-2H3
InChIKey VDONIOWYZHYPJF-UHFFFAOYSA-N
Mol Weight 334.62 g/mol
Molecular Formula C18H42O3Si
Exact Mass 334.290322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 31ISlhe5Xvh
Name 4-[1,2-Dimethyl-6-(2-trimethylsilanyl-ethoxymethoxy)-yclohexyl]but-3-en-2-one
Comments Computed using HOSE algorithm
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Exact Mass 334.290321744 u
Formula C18H42O3Si
InChI InChI=1S/C8H16.C6H16O2Si.C4H10O/c1-7-5-3-4-6-8(7)2;1-9(2,3)5-4-8-6-7;1-3-4(2)5/h7-8H,3-6H2,1-2H3;7H,4-6H2,1-3H3;4-5H,3H2,1-2H3
InChIKey VDONIOWYZHYPJF-UHFFFAOYSA-N
Molecular Weight 334.616 g/mol
Nominal Mass 334 u
SMILES OC(CC)C.C1CC(C(CC1)C)C.OCOCC[Si](C)(C)C