| SpectraBase Spectrum ID |
GkUmG4fnJX2 |
| Name |
Benzoic acid, 2,2'-(3,4-di-2-naphthalenyl-1,2-cyclobutanediyl)bis-, diethyl ester, (1.alpha.,2.alpha.,3.beta.,4.beta.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
604.261359635 u |
| 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(C=2C(C(=O)OCC)=CC=CC2)C(C1C=1C=C2C=CC=CC2=CC1)C=1C=C2C=CC=CC2=CC1)C=1C(C(=O)OCC)=CC=CC1 |
