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

SpectraBase Compound ID	F3RoRaRhoyF
InChI	InChI=1S/C23H40N2O/c1-2-8-19-20-11-6-12-22(26)25-16-7-14-23(20,25)15-13-21(19)24-17-18-9-4-3-5-10-18/h18-21,24H,2-17H2,1H3/t19-,20+,21-,23-/m1/s1
InChIKey	YIZVZYGFYPDTIO-ADYITMSISA-N Google Search
Mol Weight	360.6 g/mol
Molecular Formula	C23H40N2O
Exact Mass	360.314064 g/mol

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SpectraBase Spectrum ID	GymI1e0G92G
Name	(8as,9R,10R,12Ar)-10-((cyclohexylmethyl)amino)-9-propyldecahydro-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	360.314063915 u
Formula	C23H40N2O
InChI	InChI=1S/C23H40N2O/c1-2-8-19-20-11-6-12-22(26)25-16-7-14-23(20,25)15-13-21(19)24-17-18-9-4-3-5-10-18/h18-21,24H,2-17H2,1H3/t19-,20+,21-,23-/m1/s1
InChIKey	YIZVZYGFYPDTIO-ADYITMSISA-N
Molecular Weight	360.586 g/mol
SMILES	[C@]123N(C(CCC[C@]3([C@]([C@@](CC1)(NCC1CCCCC1)[H])(CCC)[H])[H])=O)CCC2
Spectrum/Structure Validation Score (Vapor Phase IR)	0.826697