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1',3'-Dimethyl-3-phenyl-8-trifluoromethyl-2,3,4,4a,5,6-hexahydro-1H-spiro[benzo[c]quinolizine-5,5'-pyrimidine]-4',6'-dione

View entire compound with spectra: 1 MS (GC)

1',3'-Dimethyl-3-phenyl-8-trifluoromethyl-2,3,4,4a,5,6-hexahydro-1H-spiro[benzo[c]quinolizine-5,5'-pyrimidine]-4',6'-dione
SpectraBase Compound ID 2LHsNNJnSsX
InChI InChI=1S/C26H28F3N3O2/c1-30-16-31(2)24(34)25(23(30)33)15-19-14-20(26(27,28)29)8-9-21(19)32-11-10-18(13-22(25)32)12-17-6-4-3-5-7-17/h3-9,14,18,22H,10-13,15-16H2,1-2H3/t18-,22-/m1/s1
InChIKey JKFQDEDMIKAHFU-XMSQKQJNSA-N
Mol Weight 471.52 g/mol
Molecular Formula C26H28F3N3O2
Exact Mass 471.213362 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A9VIWT3Ix2G
Name 1',3'-Dimethyl-3-phenyl-8-trifluoromethyl-2,3,4,4a,5,6-hexahydro-1H-spiro[benzo[c]quinolizine-5,5'-pyrimidine]-4',6'-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28F3N3O2
InChI InChI=1S/C26H28F3N3O2/c1-30-16-31(2)24(34)25(23(30)33)15-19-14-20(26(27,28)29)8-9-21(19)32-11-10-18(13-22(25)32)12-17-6-4-3-5-7-17/h3-9,14,18,22H,10-13,15-16H2,1-2H3/t18-,22-/m1/s1
InChIKey JKFQDEDMIKAHFU-XMSQKQJNSA-N
Molecular Weight 471.524 g/mol
SMILES C12(C(N(C)CN(C2=O)C)=O)[C@@]2(N(CC[C@@](C2)(Cc2ccccc2)[H])c2c(C1)cc(C(F)(F)F)cc2)[H]
SPLASH splash10-00di-0000900000-18e7987e3320c3f3c733
Source of Spectrum O1-45-751-10g
Wiley ID 1711366