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Benzoic acid, 2-[(2-pentyl-1,3-dioxolan-2-yl)methyl]-4,6-bis(phenylmethoxy)-, ethyl ester
SpectraBase Compound ID 9boNeuHS6MC
InChI InChI=1S/C32H38O6/c1-3-5-12-17-32(37-18-19-38-32)22-27-20-28(35-23-25-13-8-6-9-14-25)21-29(30(27)31(33)34-4-2)36-24-26-15-10-7-11-16-26/h6-11,13-16,20-21H,3-5,12,17-19,22-24H2,1-2H3
InChIKey KDXUXDHIIXZPBY-UHFFFAOYSA-N
Mol Weight 518.7 g/mol
Molecular Formula C32H38O6
Exact Mass 518.266839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JP3Ag9Zlruz
Name Benzoic acid, 2-[(2-pentyl-1,3-dioxolan-2-yl)methyl]-4,6-bis(phenylmethoxy)-, ethyl ester
CAS Registry Number 112642-56-5
Comments Less than 3 mono-isotopic peaks
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Formula C32H38O6
InChI InChI=1S/C32H38O6/c1-3-5-12-17-32(37-18-19-38-32)22-27-20-28(35-23-25-13-8-6-9-14-25)21-29(30(27)31(33)34-4-2)36-24-26-15-10-7-11-16-26/h6-11,13-16,20-21H,3-5,12,17-19,22-24H2,1-2H3
InChIKey KDXUXDHIIXZPBY-UHFFFAOYSA-N
Molecular Weight 518.650 g/mol
SMILES c1(c(cc(cc1CC1(OCCO1)CCCCC)OCc1ccccc1)OCc1ccccc1)C(=O)OCC
SPLASH splash10-0006-0900100000-d92e705844801ac9aa97
Source of Spectrum B-40-1857-20
Synonyms ethyl 2,4-bis(benzyloxy)-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]benzoate Ethyl 2,4-dibenzyloxy-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]benzoate
Wiley ID 1401765