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(Z)-3-Methyl-5-(1,2,5,5-tetramethyl-7-oxo-3,4,4A,6-tetrahydro-2H-naphthalen-1-yl)pent-2-enoic acid, tms
SpectraBase Compound ID 5VTp5Kf5njZ
InChI InChI=1S/C23H38O3Si/c1-16(13-21(25)26-27(6,7)8)11-12-23(5)17(2)9-10-19-20(23)14-18(24)15-22(19,3)4/h13-14,17,19H,9-12,15H2,1-8H3/b16-13-
InChIKey UFAYEUVWYWPKJR-SSZFMOIBSA-N
Mol Weight 390.6 g/mol
Molecular Formula C23H38O3Si
Exact Mass 390.259022 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1u9taTGcP8E
Name (Z)-3-Methyl-5-(1,2,5,5-tetramethyl-7-oxo-3,4,4A,6-tetrahydro-2H-naphthalen-1-yl)pent-2-enoic acid, tms
Comments Computed using HOSE algorithm
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Exact Mass 390.259021616 u
Formula C23H38O3Si
InChI InChI=1S/C23H38O3Si/c1-16(13-21(25)26-27(6,7)8)11-12-23(5)17(2)9-10-19-20(23)14-18(24)15-22(19,3)4/h13-14,17,19H,9-12,15H2,1-8H3/b16-13-
InChIKey UFAYEUVWYWPKJR-SSZFMOIBSA-N
Molecular Weight 390.639 g/mol
SMILES C1(CC(C2C(=C1)C(CC\C(=C/C(O[Si](C)(C)C)=O)C)(C)C(CC2)C)(C)C)=O