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4-Benzyl-6-[(benzyloxy)methyl]-2,2-dimethyl-1,3-dioxan-5-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

4-Benzyl-6-[(benzyloxy)methyl]-2,2-dimethyl-1,3-dioxan-5-one
SpectraBase Compound ID Cv8lB6xX1uW
InChI InChI=1S/C21H24O4/c1-21(2)24-18(13-16-9-5-3-6-10-16)20(22)19(25-21)15-23-14-17-11-7-4-8-12-17/h3-12,18-19H,13-15H2,1-2H3
InChIKey ZRYYTQZNWJPYQU-UHFFFAOYSA-N
Mol Weight 340.42 g/mol
Molecular Formula C21H24O4
Exact Mass 340.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AdbJnbu6zQU
Name 4-Benzyl-6-[(benzyloxy)methyl]-2,2-dimethyl-1,3-dioxan-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.167459249 u
Formula C21H24O4
InChI InChI=1S/C21H24O4/c1-21(2)24-18(13-16-9-5-3-6-10-16)20(22)19(25-21)15-23-14-17-11-7-4-8-12-17/h3-12,18-19H,13-15H2,1-2H3
InChIKey ZRYYTQZNWJPYQU-UHFFFAOYSA-N
Molecular Weight 340.419 g/mol
SMILES C1(C(OC(OC1COCC=1C=CC=CC1)(C)C)CC=1C=CC=CC1)=O