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3-(2,4-Dihydroxypentyl)-6,8-dimethoxyisochromen-1-one, 2tms

View entire compound with spectra: 1 NMR

3-(2,4-Dihydroxypentyl)-6,8-dimethoxyisochromen-1-one, 2tms
SpectraBase Compound ID 6FMhE153c3w
InChI InChI=1S/C22H36O6Si2/c1-15(27-29(4,5)6)10-19(28-30(7,8)9)13-18-12-16-11-17(24-2)14-20(25-3)21(16)22(23)26-18/h11-12,14-15,19H,10,13H2,1-9H3
InChIKey ZTFILUMEYRNQON-UHFFFAOYSA-N
Mol Weight 452.7 g/mol
Molecular Formula C22H36O6Si2
Exact Mass 452.205042 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LjNClihAZ6t
Name 3-(2,4-Dihydroxypentyl)-6,8-dimethoxyisochromen-1-one, 2tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.205041943 u
Formula C22H36O6Si2
InChI InChI=1S/C22H36O6Si2/c1-15(27-29(4,5)6)10-19(28-30(7,8)9)13-18-12-16-11-17(24-2)14-20(25-3)21(16)22(23)26-18/h11-12,14-15,19H,10,13H2,1-9H3
InChIKey ZTFILUMEYRNQON-UHFFFAOYSA-N
Molecular Weight 452.694 g/mol
SMILES C1(=CC(=C2C(=C1)C=C(OC2=O)CC(CC(C)O[Si](C)(C)C)O[Si](C)(C)C)OC)OC