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5-[(p-Methoxybenzyl)-5-benzyl-2,2-dimethyl-1,3-dioxacyclohexane-4,6-dione

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5-[(p-Methoxybenzyl)-5-benzyl-2,2-dimethyl-1,3-dioxacyclohexane-4,6-dione
SpectraBase Compound ID 24lvxp6kHv7
InChI InChI=1S/C21H22O5/c1-20(2)25-18(22)21(19(23)26-20,13-15-7-5-4-6-8-15)14-16-9-11-17(24-3)12-10-16/h4-12H,13-14H2,1-3H3
InChIKey SSZJKQHKRVZAEU-UHFFFAOYSA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HMQpoHrhZNk
Name 5-[(p-Methoxybenzyl)-5-benzyl-2,2-dimethyl-1,3-dioxacyclohexane-4,6-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.146723803 u
Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-20(2)25-18(22)21(19(23)26-20,13-15-7-5-4-6-8-15)14-16-9-11-17(24-3)12-10-16/h4-12H,13-14H2,1-3H3
InChIKey SSZJKQHKRVZAEU-UHFFFAOYSA-N
Molecular Weight 354.402 g/mol
SMILES C1(C(OC(OC1=O)(C)C)=O)(CC=1C=CC(=CC1)OC)CC1=CC=CC=C1