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9-Phenyl-1-(2,4,6-trihydroxyphenyl)nonan-1-one, 3tms derivative

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9-Phenyl-1-(2,4,6-trihydroxyphenyl)nonan-1-one, 3tms derivative
SpectraBase Compound ID 8tXZ4vv8P8x
InChI InChI=1S/C30H50O4Si3/c1-35(2,3)32-26-23-28(33-36(4,5)6)30(29(24-26)34-37(7,8)9)27(31)22-18-13-11-10-12-15-19-25-20-16-14-17-21-25/h14,16-17,20-21,23-24H,10-13,15,18-19,22H2,1-9H3
InChIKey MDMQNZZSBHRGBZ-UHFFFAOYSA-N
Mol Weight 559.0 g/mol
Molecular Formula C30H50O4Si3
Exact Mass 558.30169 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CzZxvLHnCam
Name 9-Phenyl-1-(2,4,6-trihydroxyphenyl)nonan-1-one, 3tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 558.301689691 u
Formula C30H50O4Si3
InChI InChI=1S/C30H50O4Si3/c1-35(2,3)32-26-23-28(33-36(4,5)6)30(29(24-26)34-37(7,8)9)27(31)22-18-13-11-10-12-15-19-25-20-16-14-17-21-25/h14,16-17,20-21,23-24H,10-13,15,18-19,22H2,1-9H3
InChIKey MDMQNZZSBHRGBZ-UHFFFAOYSA-N
Molecular Weight 558.981 g/mol
SMILES C(CCCCCCCCC1=CC=CC=C1)(=O)C1=C(C=C(C=C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C