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(5aS,7S)-8-Butyl-3,3a,4,5,5a,6,7,8b-octahydro-7-methylcyclopenta[de]quinazolin-2(1H)-imine
SpectraBase Compound ID 1OT4sJUZ63N
InChI InChI=1S/C15H25N3/c1-3-4-5-11-9(2)8-10-6-7-12-13(10)14(11)18-15(16)17-12/h9-10,12-13H,3-8H2,1-2H3,(H3,16,17,18)/t9-,10-,12?,13?/m0/s1
InChIKey MGZKFJKGMKJURC-WPMGSTCASA-N
Mol Weight 247.39 g/mol
Molecular Formula C15H25N3
Exact Mass 247.204848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cTPcoM8wWT
Name (5aS,7S)-8-Butyl-3,3a,4,5,5a,6,7,8b-octahydro-7-methylcyclopenta[de]quinazolin-2(1H)-imine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H25N3
InChI InChI=1S/C15H25N3/c1-3-4-5-11-9(2)8-10-6-7-12-13(10)14(11)18-15(16)17-12/h9-10,12-13H,3-8H2,1-2H3,(H3,16,17,18)/t9-,10-,12?,13?/m0/s1
InChIKey MGZKFJKGMKJURC-WPMGSTCASA-N
Molecular Weight 247.386 g/mol
SMILES N1C2=C([C@](C[C@]3(C2C(NC1=N)CC3)[H])(C)[H])CCCC
SPLASH splash10-0udl-0590000000-126aa669470be14ef2bb
Source of Spectrum CBD-8-1442-3
Synonyms Ptilocaulin (5aS,7S)-8-butyl-7-methyl-3,3a,3a1,4,5,5a,6,7-octahydrocyclopenta[de]quinazolin-2(1H)-imine
Wiley ID 1788795