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Benzoic acid, 2-[(2-pentyl-1,3-dioxolan-2-yl)methyl]-4,6-bis(phenylmethoxy)-
SpectraBase Compound ID ClwZmdq5dCH
InChI InChI=1S/C30H34O6/c1-2-3-10-15-30(35-16-17-36-30)20-25-18-26(33-21-23-11-6-4-7-12-23)19-27(28(25)29(31)32)34-22-24-13-8-5-9-14-24/h4-9,11-14,18-19H,2-3,10,15-17,20-22H2,1H3,(H,31,32)
InChIKey DZZVMCBENDJPBL-UHFFFAOYSA-N
Mol Weight 490.6 g/mol
Molecular Formula C30H34O6
Exact Mass 490.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2o8I4esGWoR
Name Benzoic acid, 2-[(2-pentyl-1,3-dioxolan-2-yl)methyl]-4,6-bis(phenylmethoxy)-
CAS Registry Number 112642-57-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H34O6
InChI InChI=1S/C30H34O6/c1-2-3-10-15-30(35-16-17-36-30)20-25-18-26(33-21-23-11-6-4-7-12-23)19-27(28(25)29(31)32)34-22-24-13-8-5-9-14-24/h4-9,11-14,18-19H,2-3,10,15-17,20-22H2,1H3,(H,31,32)
InChIKey DZZVMCBENDJPBL-UHFFFAOYSA-N
Molecular Weight 490.596 g/mol
SMILES OC(c1c(cc(cc1CC1(OCCO1)CCCCC)OCc1ccccc1)OCc1ccccc1)=O
SPLASH splash10-0006-0900400000-549442bf640b66ef991c
Source of Spectrum B-40-1857-21
Synonyms 2,4-bis(benzyloxy)-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]benzoic acid 2,4-Dibenzyloxy-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]benzoic acid
Wiley ID 1397310