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DIETHYL-2,2'-[TRANS-2,TRANS-4-DI-(NAPHTHALEN-1-YL)-CYCLOBUTANE-R-1,CIS-3-DIYL]-DIBENZOATE
SpectraBase Compound ID GWOMNqHArgx
InChI InChI=1S/C42H36O4/c1-3-45-41(43)35-23-11-9-21-33(35)39-37(31-25-13-17-27-15-5-7-19-29(27)31)40(34-22-10-12-24-36(34)42(44)46-4-2)38(39)32-26-14-18-28-16-6-8-20-30(28)32/h5-26,37-40H,3-4H2,1-2H3
InChIKey GRGOWMNFECGXMU-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 7HlBHvdCWRv
Name Benzoic acid, 2,2'-(2,4-di-1-naphthalenyl-1,3-cyclobutanediyl)bis-, diethyl ester, (1.alpha.,2.beta.,3.alpha.,4.beta.)-
CAS Registry Number 90340-65-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H36O4
InChI InChI=1S/C42H36O4/c1-3-45-41(43)35-23-11-9-21-33(35)39-37(31-25-13-17-27-15-5-7-19-29(27)31)40(34-22-10-12-24-36(34)42(44)46-4-2)38(39)32-26-14-18-28-16-6-8-20-30(28)32/h5-26,37-40H,3-4H2,1-2H3
InChIKey GRGOWMNFECGXMU-UHFFFAOYSA-N
Molecular Weight 604.746 g/mol
SMILES C1(C(c2c3c(cccc3)ccc2)C(C1c1c2c(cccc2)ccc1)c1c(C(=O)OCC)cccc1)c1c(C(=O)OCC)cccc1
SPLASH splash10-0zfr-0089000000-61fd88ba2841397512bf
Source of Spectrum B-37-574-0
Synonyms Diethyl 2,2'-[t-2,t-4-di(naphthalen-1-yl)-cyclobutane-r-1,c-3-dyl]dibenzoate Ethyl 2-[3-[2-(ethoxycarbonyl)phenyl]-2,4-di(1-naphthyl)cyclobutyl]benzoate
Wiley ID 1410509