| SpectraBase Spectrum ID |
26Ik0h8f9UD |
| Name |
(3-Benzoyl-2,4-bis-tricyclo[8.2.2.2(4,7)]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaen-5-yl-cyclobutyl)-phenyl-methanone |
| Alternate Name(s) |
((1r,2r,3r,4r)-2,4-di(1,4(1,4)-dibenzenacyclohexaphane-1(2)-yl)cyclobutane-1,3-diyl)bis(phenylmethanone) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C50H44O2 |
| InChI |
InChI=1S/C50H44O2/c51-49(41-7-3-1-4-8-41)47-45(43-31-37-21-19-33-11-15-35(16-12-33)23-27-39(43)29-25-37)48(50(52)42-9-5-2-6-10-42)46(47)44-32-38-22-20-34-13-17-36(18-14-34)24-28-40(44)30-26-38/h1-18,25-26,29-32,45-48H,19-24,27-28H2/t45-,46+,47-,48+ |
| InChIKey |
AOIRQTIRHLTZCM-JRRJZXJCSA-N |
| Molecular Weight |
676.900 g/mol |
| SMILES |
c1cc2ccc1CCc1ccc(c(c1)[C@]1([C@@]([C@]([C@@]1(C(=O)c1ccccc1)[H])(c1cc3ccc1CCc1ccc(cc1)CC3)[H])(C(=O)c1ccccc1)[H])[H])CC2 |
| SPLASH |
splash10-0a4r-0905012000-78a9ceea3deef3966f17 |
| Source of Spectrum |
ZNB-70-574-2 |
| Wiley ID |
1807371 |
![(3-Benzoyl-2,4-bis-tricyclo[8.2.2.2(4,7)]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaen-5-yl-cyclobutyl)-phenyl-methanone](/api/spectrum/26Ik0h8f9UD/structure.png?h=300&w=458 "(3-Benzoyl-2,4-bis-tricyclo[8.2.2.2(4,7)]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaen-5-yl-cyclobutyl)-phenyl-methanone")
