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1,1':3',1''-Terphenyl, 2'-ethoxy-3-iodo-2,2''-bis(methoxymethoxy)-5,5',5''-trimethyl-
SpectraBase Compound ID 12epXqSIj1g
InChI InChI=1S/C27H31IO5/c1-7-31-26-21(20-10-17(2)8-9-25(20)32-15-29-5)11-18(3)12-22(26)23-13-19(4)14-24(28)27(23)33-16-30-6/h8-14H,7,15-16H2,1-6H3
InChIKey AYNJDYAKOUCYKU-UHFFFAOYSA-N
Mol Weight 562.44 g/mol
Molecular Formula C27H31IO5
Exact Mass 562.121619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 745yTxnguC8
Name 1,1':3',1''-Terphenyl, 2'-ethoxy-3-iodo-2,2''-bis(methoxymethoxy)-5,5',5''-trimethyl-
CAS Registry Number 123291-96-3
Comments Less than 3 mono-isotopic peaks
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Formula C27H31IO5
InChI InChI=1S/C27H31IO5/c1-7-31-26-21(20-10-17(2)8-9-25(20)32-15-29-5)11-18(3)12-22(26)23-13-19(4)14-24(28)27(23)33-16-30-6/h8-14H,7,15-16H2,1-6H3
InChIKey AYNJDYAKOUCYKU-UHFFFAOYSA-N
Molecular Weight 562.444 g/mol
SMILES c1(-c2c(c(I)cc(c2)C)OCOC)c(c(-c2c(ccc(c2)C)OCOC)cc(c1)C)OCC
SPLASH splash10-000i-0000900000-3c87cda428c3f7558418
Source of Spectrum J-54-5476-33
Synonyms 1,1':3',1''-terphenyl, 2'-ethoxy-3-iodo-2,2''-bis(methoxymethoxy)-5,5',5''-trimethyl- 2'-Ethoxy-3-iodo-2,2'-bis(methoxymethoxy)-5,5',5''-trimethyl-[1,1':3',1'']-terphenyl 2-ethoxy-1-[3-iodo-2-(methoxymethoxy)-5-methylphenyl]-3-[2-(methoxymethoxy)-5-methylphenyl]-5-methylbenzene
Wiley ID 1406881