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Quercetol C, tms

View entire compound with spectra: 1 NMR

Quercetol C, tms
SpectraBase Compound ID 6bvnWUK04W6
InChI InChI=1S/C25H32O5Si/c1-25(2,30-31(5,6)7)14-13-18-21(27-3)16-22(28-4)23-19(26)15-20(29-24(18)23)17-11-9-8-10-12-17/h8-14,16,20H,15H2,1-7H3/b14-13+/t20-/m0/s1
InChIKey SBWMZGOTVMHXPG-AIGDTVQASA-N
Mol Weight 440.6 g/mol
Molecular Formula C25H32O5Si
Exact Mass 440.201901 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hrlo9AowWvp
Name Quercetol C, tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.201900660 u
Formula C25H32O5Si
InChI InChI=1S/C25H32O5Si/c1-25(2,30-31(5,6)7)14-13-18-21(27-3)16-22(28-4)23-19(26)15-20(29-24(18)23)17-11-9-8-10-12-17/h8-14,16,20H,15H2,1-7H3/b14-13+/t20-/m0/s1
InChIKey SBWMZGOTVMHXPG-AIGDTVQASA-N
Molecular Weight 440.611 g/mol
SMILES C(O[Si](C)(C)C)(\C=C\C1=C2C(C(=O)C[C@@](C3=CC=CC=C3)(O2)[H])=C(OC)C=C1OC)(C)C