(8as,9R,10R,12Ar)-9-benzyl-10-[(cyclohexylmethyl)amino]decahydro-1H,5H-benzo[B]pyrrolo[1,2-A]azepin-5-one

SpectraBase Compound ID	7IAHvWqbv8T
InChI	InChI=1S/C27H40N2O/c30-26-14-7-13-24-23(19-21-9-3-1-4-10-21)25(28-20-22-11-5-2-6-12-22)15-17-27(24)16-8-18-29(26)27/h1,3-4,9-10,22-25,28H,2,5-8,11-20H2/t23-,24+,25-,27-/m1/s1
InChIKey	KBTHKNUDZVHOPI-SPGPFUFCSA-N Google Search
Mol Weight	408.6 g/mol
Molecular Formula	C27H40N2O
Exact Mass	408.314064 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	BaX7EEbAsvz
Name	(8as,9R,10R,12Ar)-9-benzyl-10-[(cyclohexylmethyl)amino]decahydro-1H,5H-benzo[B]pyrrolo[1,2-A]azepin-5-one
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	408.314063915 u
Formula	C27H40N2O
InChI	InChI=1S/C27H40N2O/c30-26-14-7-13-24-23(19-21-9-3-1-4-10-21)25(28-20-22-11-5-2-6-12-22)15-17-27(24)16-8-18-29(26)27/h1,3-4,9-10,22-25,28H,2,5-8,11-20H2/t23-,24+,25-,27-/m1/s1
InChIKey	KBTHKNUDZVHOPI-SPGPFUFCSA-N
Molecular Weight	408.630 g/mol
SMILES	[C@]123N(C(CCC[C@]3([C@]([C@@](CC1)(NCC1CCCCC1)[H])(CC1=CC=CC=C1)[H])[H])=O)CCC2
Spectrum/Structure Validation Score (Vapor Phase IR)	0.92436