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Benzoic acid, 2,4-bis(phenylmethoxy)-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]-
SpectraBase Compound ID 95WJgCbXzRW
InChI InChI=1S/C28H30O6/c1-2-13-28(33-14-15-34-28)18-23-16-24(31-19-21-9-5-3-6-10-21)17-25(26(23)27(29)30)32-20-22-11-7-4-8-12-22/h3-12,16-17H,2,13-15,18-20H2,1H3,(H,29,30)
InChIKey LMZABMDQJVVQOZ-UHFFFAOYSA-N
Mol Weight 462.54 g/mol
Molecular Formula C28H30O6
Exact Mass 462.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GriRyYdxOKC
Name Benzoic acid, 2,4-bis(phenylmethoxy)-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]-
Alternate Name(s) 2,4-bis(benzyloxy)-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoic acid 2,4-Dibenzyloxy-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoic acid
CAS Registry Number 127743-39-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O6
InChI InChI=1S/C28H30O6/c1-2-13-28(33-14-15-34-28)18-23-16-24(31-19-21-9-5-3-6-10-21)17-25(26(23)27(29)30)32-20-22-11-7-4-8-12-22/h3-12,16-17H,2,13-15,18-20H2,1H3,(H,29,30)
InChIKey LMZABMDQJVVQOZ-UHFFFAOYSA-N
Molecular Weight 462.542 g/mol
SMILES OC(c1c(cc(cc1CC1(OCCO1)CCC)OCc1ccccc1)OCc1ccccc1)=O
SPLASH splash10-014i-0900000000-362118d4d11611681a77
Source of Spectrum B-42-1977-28
Wiley ID 1391147