Spiro[adamantane-2,9'-fluorene]
Properties
- Molecular formula
- C22H22
- Molar mass
- 286.42 g/mol
- Exact mass
- 286.1722 Da
- logP
- 5.41Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
727730-31-6SMILES
C1C2CC3CC1CC(C2)C34C5=CC=CC=C5C6=CC=CC=C46InChIKey
LGYQERJJBDQQHH-UHFFFAOYSA-NInChI
InChI=1S/C22H22/c1-3-7-20-18(5-1)19-6-2-4-8-21(19)22(20)16-10-14-9-15(12-16)13-17(22)11-14/h1-8,14-17H,9-13H2Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.65 (dd, J = 7.7, 1.6 Hz, 2H), 7.58 (dd, J = 7.7, 1.6 Hz, 2H), 7.38 (m, J = 7.7, 1.6 Hz, 2H), 7.35 (m, J = 7.7, 1.6 Hz, 2H), 2.13 (quint, J = 7.0 Hz, 2H), 1.43 (m, J = 7.0 Hz, 2H), 1.43 (m, J = 7.0 Hz, 2H), 1.43 (m, J = 7.0 Hz, 8H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 149.4, 138.0, 127.0, 126.9, 125.8, 125.5, 76.9, 52.9, 40.9, 38.9, 38.9.[M + H]+
[M + H]+ Calcd for C22H23 287.1794[M + Na]+
[M + Na]+ Calcd for C22H22Na 309.1614[M − H]−
[M − H]− Calcd for C22H21 285.1649Elemental analysis
Anal. Calcd for C22H22: C, 92.26; H, 7.74.Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 name
- Spiro-(adamantane-2,9'-fluorene)
Work with Spiro[adamantane-2,9'-fluorene]
Similar compounds
9,9'-Spirobi(9H-fluorene)159-66-042 % similar
9H-Fluorene-9,9-dimethanol4425-93-839 % similar
9,9-Dimethyl-9H-fluorene4569-45-338 % similar
9,9-Diphenylfluorene20302-14-137 % similar
2,2'-(9H-Fluorene-9,9-diyl)diethanol203070-78-436 % similar
9,9-Bis(methoxymethyl)fluorene182121-12-635 % similar
9-Phenyl-9-fluorenol25603-67-233 % similar
9-Bromo-9-phenylfluorene55135-66-533 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.