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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 J7DSrhVKr3y
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?
InChIKey NPMMGTOTMWWRKM-VTVIJNBLSA-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 HadejXxTYXh
Name 7-Adamantan-2-ylidene-3,4-bis-(4-tert-butylphenyl)-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[2,1-d:3,4-d']diisoxazole
Alternate Name(s) 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
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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?
InChIKey NPMMGTOTMWWRKM-VTVIJNBLSA-N
Molecular Weight 548.771 g/mol
SMILES C1(C2C(C(c3ccc(C(C)(C)C)cc3)=NO2)C2C1ON=C2c1ccc(C(C)(C)C)cc1)=C1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H]
SPLASH splash10-0ab9-1129010000-abbcb57b1d7f365b4272
Source of Spectrum F-62-7387-5
Wiley ID 1640208