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2-{4'-[4"-(Benzyloxy)-3''-methoxybenzyl]-2'-(t-butyl)-5'-oxo-1',3'-dioxolan-4'-yl]-3-[4'-(benzyloxy)-3'-methoxyphenyl]-propanoic acid

View entire compound with spectra: 1 MS (GC)

2-{4'-[4"-(Benzyloxy)-3''-methoxybenzyl]-2'-(t-butyl)-5'-oxo-1',3'-dioxolan-4'-yl]-3-[4'-(benzyloxy)-3'-methoxyphenyl]-propanoic acid
SpectraBase Compound ID 3Q1YIsW3Jwj
InChI InChI=1S/C39H42O9/c1-38(2,3)37-47-36(42)39(48-37,23-29-17-19-32(34(22-29)44-5)46-25-27-14-10-7-11-15-27)30(35(40)41)20-28-16-18-31(33(21-28)43-4)45-24-26-12-8-6-9-13-26/h6-19,21-22,30,37H,20,23-25H2,1-5H3,(H,40,41)
InChIKey XTYIVWNNNXBHCN-UHFFFAOYSA-N
Mol Weight 654.8 g/mol
Molecular Formula C39H42O9
Exact Mass 654.282883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpymEHAjLrN
Name 2-{4'-[4"-(Benzyloxy)-3''-methoxybenzyl]-2'-(t-butyl)-5'-oxo-1',3'-dioxolan-4'-yl]-3-[4'-(benzyloxy)-3'-methoxyphenyl]-propanoic acid
Alternate Name(s) 2-{4-[4-(benzyloxy)-3-methoxybenzyl]-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl}-3-[4-(benzyloxy)-3-methoxyphenyl]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H42O9
InChI InChI=1S/C39H42O9/c1-38(2,3)37-47-36(42)39(48-37,23-29-17-19-32(34(22-29)44-5)46-25-27-14-10-7-11-15-27)30(35(40)41)20-28-16-18-31(33(21-28)43-4)45-24-26-12-8-6-9-13-26/h6-19,21-22,30,37H,20,23-25H2,1-5H3,(H,40,41)
InChIKey XTYIVWNNNXBHCN-UHFFFAOYSA-N
Molecular Weight 654.756 g/mol
SMILES OC(C(C1(C(OC(O1)C(C)(C)C)=O)Cc1cc(OC)c(cc1)OCc1ccccc1)Cc1cc(OC)c(cc1)OCc1ccccc1)=O
SPLASH splash10-00or-0097014000-2727f3fbd12185ec0d75
Source of Spectrum H-85-4227-23
Wiley ID 1525161