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3,5-Octadien-2-one, 7-hydroxy-5,8-bis(phenylmethoxy)-, [S-(Z,E)]-
SpectraBase Compound ID BrBJD895zza
InChI InChI=1S/C22H24O4/c1-18(23)12-13-22(26-16-20-10-6-3-7-11-20)14-21(24)17-25-15-19-8-4-2-5-9-19/h2-14,21,24H,15-17H2,1H3/b13-12+,22-14-/t21-/m0/s1
InChIKey JWTKQHHUPWMWHP-BRAUPHFRSA-N
Mol Weight 352.43 g/mol
Molecular Formula C22H24O4
Exact Mass 352.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AjQrJLKM2oV
Name 3,5-Octadien-2-one, 7-hydroxy-5,8-bis(phenylmethoxy)-, [S-(Z,E)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.167459249 u
Formula C22H24O4
InChI InChI=1S/C22H24O4/c1-18(23)12-13-22(26-16-20-10-6-3-7-11-20)14-21(24)17-25-15-19-8-4-2-5-9-19/h2-14,21,24H,15-17H2,1H3/b13-12+,22-14-/t21-/m0/s1
InChIKey JWTKQHHUPWMWHP-BRAUPHFRSA-N
Molecular Weight 352.430 g/mol
SMILES C(\C=C\C(=C\[C@](O)(COCC1=CC=CC=C1)[H])OCC=1C=CC=CC1)(=O)C