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Benzoic acid, 2,2'-(3,4-di-2-naphthalenyl-1,2-cyclobutanediyl)bis-, diethyl ester, (1.alpha.,2.alpha.,3.beta.,4.beta.)-
SpectraBase Compound ID 7jNPH0rxHjT
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)38(32-24-22-28-14-6-8-16-30(28)26-32)40(39)34-18-10-12-20-36(34)42(44)46-4-2/h5-26,37-40H,3-4H2,1-2H3
InChIKey XWXHGJDFOZBFIJ-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 LPcOVXJn2Zh
Name Benzoic acid, 2,2'-(3,4-di-2-naphthalenyl-1,2-cyclobutanediyl)bis-, diethyl ester, (1.alpha.,2.alpha.,3.beta.,4.beta.)-
Alternate Name(s) Diethyl 2,2'[t-3,t-4-di(naphthalen-2-yl)cyclobutane-r-1,c-2-diyl]dibenzoate Ethyl 2-[2-[2-(ethoxycarbonyl)phenyl]-3,4-di(2-naphthyl)cyclobutyl]benzoate
CAS Registry Number 90340-73-1
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)38(32-24-22-28-14-6-8-16-30(28)26-32)40(39)34-18-10-12-20-36(34)42(44)46-4-2/h5-26,37-40H,3-4H2,1-2H3
InChIKey XWXHGJDFOZBFIJ-UHFFFAOYSA-N
Molecular Weight 604.746 g/mol
SMILES C1(C(c2c(C(=O)OCC)cccc2)C(C1c1cc2ccccc2cc1)c1cc2ccccc2cc1)c1c(C(=O)OCC)cccc1
SPLASH splash10-0udi-0019000000-cb516544fa407ebc381f
Source of Spectrum B-37-574-0
Wiley ID 1410512