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3-Butyl-12b-methyl-1,3,4,5,6,7,12,12b-octahydro-2H-4a,12-diaza-dibenzo[a,e]azulene
SpectraBase Compound ID 3HMCQbojT1w
InChI InChI=1S/C21H30N2/c1-3-4-8-16-12-13-21(2)20-18(10-7-14-23(21)15-16)17-9-5-6-11-19(17)22-20/h5-6,9,11,16,22H,3-4,7-8,10,12-15H2,1-2H3
InChIKey GWOHHWQVHIKTIT-UHFFFAOYSA-N
Mol Weight 310.49 g/mol
Molecular Formula C21H30N2
Exact Mass 310.240899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ep3TuFV03lk
Name 3-Butyl-12b-methyl-1,3,4,5,6,7,12,12b-octahydro-2H-4a,12-diaza-dibenzo[a,e]azulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30N2
InChI InChI=1S/C21H30N2/c1-3-4-8-16-12-13-21(2)20-18(10-7-14-23(21)15-16)17-9-5-6-11-19(17)22-20/h5-6,9,11,16,22H,3-4,7-8,10,12-15H2,1-2H3
InChIKey GWOHHWQVHIKTIT-UHFFFAOYSA-N
Molecular Weight 310.485 g/mol
SMILES [nH]1c2ccccc2c2CCCN3C(c12)(CCC(C3)CCCC)C
SPLASH splash10-0002-1391000000-1e6ff24952b51d6bebaf
Synonyms 3-Butyl-13b-methyl-1,3,4,6,7,8,13,13b-octahydro-2H-pyrido[1',2':1,2]azepino[3,4-b]indole
Wiley ID 1452609