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4,5-Bis[(tert-butoxy)methyl]-2-(4-bromophenyl)-1,3-dioxalane

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

4,5-Bis[(tert-butoxy)methyl]-2-(4-bromophenyl)-1,3-dioxalane
SpectraBase Compound ID 4m47gD40n5B
InChI InChI=1S/C19H29BrO4/c1-18(2,3)21-11-15-16(12-22-19(4,5)6)24-17(23-15)13-7-9-14(20)10-8-13/h7-10,15-17H,11-12H2,1-6H3
InChIKey XDVOIVCZCFKYHH-UHFFFAOYSA-N
Mol Weight 401.34 g/mol
Molecular Formula C19H29BrO4
Exact Mass 400.124922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2c6B1SB2pcp
Name 4,5-bis[(Tert-butoxy)methyl]-2-(4-bromophenyl)-1,3-dioxalane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.124922410 u
Formula C19H29BrO4
InChI InChI=1S/C19H29BrO4/c1-18(2,3)21-11-15-16(12-22-19(4,5)6)24-17(23-15)13-7-9-14(20)10-8-13/h7-10,15-17H,11-12H2,1-6H3
InChIKey XDVOIVCZCFKYHH-UHFFFAOYSA-N
Molecular Weight 401.341 g/mol
SMILES C1(OC(COC(C)(C)C)C(O1)COC(C)(C)C)C1=CC=C(C=C1)Br