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Benzoic acid, 2,2'-(2,4-di-2-naphthalenyl-1,3-cyclobutanediyl)bis-, diethyl ester, (1.alpha.,2.beta.,3.alpha.,4.beta.)-
SpectraBase Compound ID LMRgTz62lqw
InChI InChI=1S/C42H36O4/c1-3-45-41(43)35-19-11-9-17-33(35)39-37(31-23-21-27-13-5-7-15-29(27)25-31)40(34-18-10-12-20-36(34)42(44)46-4-2)38(39)32-24-22-28-14-6-8-16-30(28)26-32/h5-26,37-40H,3-4H2,1-2H3
InChIKey YIGXLPTZIUTKFQ-UHFFFAOYSA-N
Mol Weight 604.7 g/mol
Molecular Formula C42H36O4
Exact Mass 604.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExkX3wfZ8Sh
Name Benzoic acid, 2,2'-(2,4-di-2-naphthalenyl-1,3-cyclobutanediyl)bis-, diethyl ester, (1.alpha.,2.beta.,3.alpha.,4.beta.)-
Alternate Name(s) Diethyl 2,2'-[t-2,t-4,di(naphthalen-2-yl)cyclobutane-r-1,c-3diyl]benzoate Ethyl 2-[3-[2-(ethoxycarbonyl)phenyl]-2,4-di(2-naphthyl)cyclobutyl]benzoate
CAS Registry Number 90340-72-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H36O4
InChI InChI=1S/C42H36O4/c1-3-45-41(43)35-19-11-9-17-33(35)39-37(31-23-21-27-13-5-7-15-29(27)25-31)40(34-18-10-12-20-36(34)42(44)46-4-2)38(39)32-24-22-28-14-6-8-16-30(28)26-32/h5-26,37-40H,3-4H2,1-2H3
InChIKey YIGXLPTZIUTKFQ-UHFFFAOYSA-N
Molecular Weight 604.746 g/mol
SMILES C1(C(c2cc3ccccc3cc2)C(C1c1cc2ccccc2cc1)c1c(C(=O)OCC)cccc1)c1c(C(=O)OCC)cccc1
SPLASH splash10-0udi-0019000000-2a736ce828dfc64947ed
Source of Spectrum B-37-574-0
Wiley ID 1410511