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3-Ethyl-2-oxo-4-propyl-2,2a,3,4,5,6-hexahydro-1H-azepino[3,4,5-cd]indole
SpectraBase Compound ID gRqWUCMn6M
InChI InChI=1S/C16H22N2O/c1-3-9-18-10-8-11-6-5-7-12-14(11)15(13(18)4-2)16(19)17-12/h5-7,13,15H,3-4,8-10H2,1-2H3,(H,17,19)/t13-,15+/m1/s1
InChIKey XUIBLQRYGDNWLB-HIFRSBDPSA-N
Mol Weight 258.36 g/mol
Molecular Formula C16H22N2O
Exact Mass 258.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dMIiVj6wQA
Name 3-Ethyl-2-oxo-4-propyl-2,2a,3,4,5,6-hexahydro-1H-azepino[3,4,5-cd]indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2O
InChI InChI=1S/C16H22N2O/c1-3-9-18-10-8-11-6-5-7-12-14(11)15(13(18)4-2)16(19)17-12/h5-7,13,15H,3-4,8-10H2,1-2H3,(H,17,19)/t13-,15+/m1/s1
InChIKey XUIBLQRYGDNWLB-HIFRSBDPSA-N
Molecular Weight 258.365 g/mol
SMILES N1c2c3[C@@](C1=O)([C@](N(CCc3ccc2)CCC)(CC)[H])[H]
SPLASH splash10-03fr-0960000000-6623681140f206281bb8
Source of Spectrum Y-33-210-0
Synonyms (2aR,3R)-3-Ethyl-2-oxo-4-propyl-2,2a,3,4,5,6-hexahydro-1H-azepino[3,4,5-cd]indole 3-Ethyl-4-propyl-1,2a,3,4,5,6-hexahydro-2H-azepino[3,4,5-cd]indol-2-one
Wiley ID 1262118