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(1.alpha.,4.alpha.,4a.alpha.,7a.alpha.)-4,4a,7,7a-tetrahydro-8,8-dimethyl-1,4-diphenyl-1,4-methano-[1H]-cyclopenta[d]pyridazine

View entire compound with spectra: 1 MS (GC)

(1.alpha.,4.alpha.,4a.alpha.,7a.alpha.)-4,4a,7,7a-tetrahydro-8,8-dimethyl-1,4-diphenyl-1,4-methano-[1H]-cyclopenta[d]pyridazine
SpectraBase Compound ID 3BanPtWt2et
InChI InChI=1S/C22H22N2/c1-20(2)21(16-10-5-3-6-11-16)18-14-9-15-19(18)22(20,24-23-21)17-12-7-4-8-13-17/h3-14,18-19H,15H2,1-2H3/t18-,19+,21+,22-/m1/s1
InChIKey BGGSPXOPIOYYOT-XMGTWHOFSA-N
Mol Weight 314.43 g/mol
Molecular Formula C22H22N2
Exact Mass 314.178299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jRy1ysNpfQ
Name (1.alpha.,4.alpha.,4a.alpha.,7a.alpha.)-4,4a,7,7a-tetrahydro-8,8-dimethyl-1,4-diphenyl-1,4-methano-[1H]-cyclopenta[d]pyridazine
Alternate Name(s) (1S,2R,6S,7R)-10,10-dimethyl-1,7-diphenyl-8,9-diazatricyclo[5.2.1.0(2,6)]deca-3,8-diene
CAS Registry Number 105787-00-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2
InChI InChI=1S/C22H22N2/c1-20(2)21(16-10-5-3-6-11-16)18-14-9-15-19(18)22(20,24-23-21)17-12-7-4-8-13-17/h3-14,18-19H,15H2,1-2H3/t18-,19+,21+,22-/m1/s1
InChIKey BGGSPXOPIOYYOT-XMGTWHOFSA-N
Molecular Weight 314.432 g/mol
SMILES [C@]12(C([C@@](c3ccccc3)([C@@]3([C@]1(C=CC3)[H])[H])N=N2)(C)C)c1ccccc1
SPLASH splash10-00di-0090000000-782e6650e365cb780e97
Source of Spectrum K-120-480-5
Wiley ID 1315681