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DIETHYL-2,2'-[TRANS-3,TRANS-4-DI-(NAPHTHALEN-1-YL)-CYCLOBUTANE-R-1,CIS-2-DIYL]-DIBENZOATE
SpectraBase Compound ID 6E7l9JuSgNT
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)38(32-26-14-18-28-16-6-8-20-30(28)32)40(39)34-22-10-12-24-36(34)42(44)46-4-2/h5-26,37-40H,3-4H2,1-2H3
InChIKey DXCMUTMHABNYDF-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 HK5VcrVZuYH
Name Benzoic acid, 2,2'-(3,4-di-1-naphthalenyl-1,2-cyclobutanediyl)bis-, diethyl ester, (1.alpha.,2.alpha.,3.beta.,4.beta.)-
CAS Registry Number 90340-66-2
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)38(32-26-14-18-28-16-6-8-20-30(28)32)40(39)34-22-10-12-24-36(34)42(44)46-4-2/h5-26,37-40H,3-4H2,1-2H3
InChIKey DXCMUTMHABNYDF-UHFFFAOYSA-N
Molecular Weight 604.746 g/mol
SMILES C1(C(c2c(C(=O)OCC)cccc2)C(C1c1c2c(cccc2)ccc1)c1c2c(cccc2)ccc1)c1c(C(=O)OCC)cccc1
SPLASH splash10-0udi-0069000000-ff8b5df83452c3bb481b
Source of Spectrum B-37-574-0
Synonyms Diethyl 2,2'-[t-3,t-4-di(naphthalen-1-yl)cyclobutane-r-1,c-2-diyl]dibenzoate Ethyl 2-[2-[2-(ethoxycarbonyl)phenyl]-3,4-di(1-naphthyl)cyclobutyl]benzoate
Wiley ID 1410510