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Isoxazolo[5,4-e]indolizine-6-carbonitrile, 8-benzoyl-3a,5a,6,7,8,9a-hexahydro-3-(4-methoxyphenyl)-, (3a.alpha.,5a.beta.,6.alpha.,8.beta.,9a.alpha.)-
SpectraBase Compound ID 9wdqaKr7gYd
InChI InChI=1S/C24H21N3O3/c1-29-18-9-7-15(8-10-18)22-19-11-12-20-17(14-25)13-21(27(20)24(19)30-26-22)23(28)16-5-3-2-4-6-16/h2-12,17,19-21,24H,13H2,1H3/t17-,19+,20+,21-,24-/m1/s1
InChIKey YCYYVWIGSDJDCO-HRSQTCHXSA-N
Mol Weight 399.45 g/mol
Molecular Formula C24H21N3O3
Exact Mass 399.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPmdFeHzlHn
Name Isoxazolo[5,4-e]indolizine-6-carbonitrile, 8-benzoyl-3a,5a,6,7,8,9a-hexahydro-3-(4-methoxyphenyl)-, (3a.alpha.,5a.beta.,6.alpha.,8.beta.,9a.alpha.)-
CAS Registry Number 110258-52-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21N3O3
InChI InChI=1S/C24H21N3O3/c1-29-18-9-7-15(8-10-18)22-19-11-12-20-17(14-25)13-21(27(20)24(19)30-26-22)23(28)16-5-3-2-4-6-16/h2-12,17,19-21,24H,13H2,1H3/t17-,19+,20+,21-,24-/m1/s1
InChIKey YCYYVWIGSDJDCO-HRSQTCHXSA-N
Molecular Weight 399.450 g/mol
SMILES [C@]12(N3[C@@](C=C[C@]2(C(c2ccc(cc2)OC)=NO1)[H])([C@@](C#N)(C[C@@]3(C(=O)c1ccccc1)[H])[H])[H])[H]
SPLASH splash10-0007-1390000000-20f2796f157a04f68daf
Source of Spectrum AJ-59-3634-14
Synonyms (3aS,5aS,6S,8R,9aR)-8-benzoyl-3-(4-methoxyphenyl)-3a,5a,6,7,8,9a-hexahydroisoxazolo[5,4-e]indolizine-6-carbonitrile 1-Cyano-3-benzoyl-6-(p-methoxyphenyl)-1,2,3,3b,6b,8a-hexahydroindolizino[5,6-d]isoxazole
Wiley ID 1369062