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4,5-bis(3',4'-Dimethoxyphenyl)-2-[.alpha.-(benzoyloxy)ethyl]-pyridine
SpectraBase Compound ID GDIQ9bPRJtG
InChI InChI=1S/C30H29NO6/c1-19(37-30(32)20-9-7-6-8-10-20)25-17-23(21-11-13-26(33-2)28(15-21)35-4)24(18-31-25)22-12-14-27(34-3)29(16-22)36-5/h6-19H,1-5H3
InChIKey LVCXCKADDBDYNN-UHFFFAOYSA-N
Mol Weight 499.56 g/mol
Molecular Formula C30H29NO6
Exact Mass 499.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHtMcZqmDFA
Name 4,5-bis(3',4'-Dimethoxyphenyl)-2-[.alpha.-(benzoyloxy)ethyl]-pyridine
Alternate Name(s) benzoic acid 1-[4,5-bis(3,4-dimethoxyphenyl)-2-pyridinyl]ethyl ester 1-[4,5-bis(3,4-dimethoxyphenyl)-2-pyridyl]ethyl benzoate 1-[4,5-bis(3,4-dimethoxyphenyl)pyridin-2-yl]ethyl benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C30H29NO6
InChI InChI=1S/C30H29NO6/c1-19(37-30(32)20-9-7-6-8-10-20)25-17-23(21-11-13-26(33-2)28(15-21)35-4)24(18-31-25)22-12-14-27(34-3)29(16-22)36-5/h6-19H,1-5H3
InChIKey LVCXCKADDBDYNN-UHFFFAOYSA-N
Molecular Weight 499.563 g/mol
SMILES c1(c(-c2cc(c(OC)cc2)OC)cnc(c1)C(OC(=O)c1ccccc1)C)-c1cc(OC)c(cc1)OC
SPLASH splash10-0a4i-0900210000-f0b82670706d1d5dd454
Source of Spectrum C-118-12087-30a
Wiley ID 1698953