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(3aS,3bS,6aR,7aR)-7-Adamantan-2-ylidene-3,4-bis-(4-tert-butylphenyl)-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[2,1-d:3,4-d']diisoxazole

View entire compound with spectra: 1 MS (GC)

(3aS,3bS,6aR,7aR)-7-Adamantan-2-ylidene-3,4-bis-(4-tert-butylphenyl)-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[2,1-d:3,4-d']diisoxazole
SpectraBase Compound ID AlzD4H7J23y
InChI InChI=1S/C37H44N2O2/c1-36(2,3)26-11-7-22(8-12-26)32-29-30-33(23-9-13-27(14-10-23)37(4,5)6)39-41-35(30)31(34(29)40-38-32)28-24-16-20-15-21(18-24)19-25(28)17-20/h7-14,20-21,24-25,29-30,34-35H,15-19H2,1-6H3/t20-,21+,24-,25+,29-,30-,34+,35+/m0/s1
InChIKey NPMMGTOTMWWRKM-BWPMGNRQSA-N
Mol Weight 548.8 g/mol
Molecular Formula C37H44N2O2
Exact Mass 548.340279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Y0nLof0do4
Name (3aS,3bS,6aR,7aR)-7-Adamantan-2-ylidene-3,4-bis-(4-tert-butylphenyl)-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[2,1-d:3,4-d']diisoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H44N2O2
InChI InChI=1S/C37H44N2O2/c1-36(2,3)26-11-7-22(8-12-26)32-29-30-33(23-9-13-27(14-10-23)37(4,5)6)39-41-35(30)31(34(29)40-38-32)28-24-16-20-15-21(18-24)19-25(28)17-20/h7-14,20-21,24-25,29-30,34-35H,15-19H2,1-6H3/t20-,21+,24-,25+,29-,30-,34+,35+/m0/s1
InChIKey NPMMGTOTMWWRKM-BWPMGNRQSA-N
Molecular Weight 548.771 g/mol
SMILES C1([C@]2([C@](C(c3ccc(C(C)(C)C)cc3)=NO2)([C@@]2([C@]1(ON=C2c1ccc(C(C)(C)C)cc1)[H])[H])[H])[H])=C1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H]
SPLASH splash10-0592-0237090000-0272abc717900e2221f5
Source of Spectrum F-62-7387-7
Synonyms (3aS,3bS,6aR,7aR)-3,4-bis(4-tert-butylphenyl)-7-tricyclo[3.3.1.1(3,7)]dec-2-ylidene-3b,6a,7,7a-tetrahydro-3aH-isoxazolo[5',4':4,5]cyclopenta[1,2-d]isoxazole
Wiley ID 1640206