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(10Ar)-6-oxodecahydro-7,10-methanopyrido[1,2-A]azepin-9-yl 4-phenylpiperidine-1-carboxylate
SpectraBase Compound ID IyH6xOHxHOr
InChI InChI=1S/C23H30N2O3/c26-22-18-14-19(20-8-4-5-11-25(20)22)21(15-18)28-23(27)24-12-9-17(10-13-24)16-6-2-1-3-7-16/h1-3,6-7,17-21H,4-5,8-15H2/t18?,19?,20-,21?/m1/s1
InChIKey MORCQQHPUGUOSQ-WTLQVUHWSA-N
Mol Weight 382.5 g/mol
Molecular Formula C23H30N2O3
Exact Mass 382.225643 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LOPdZGq0CIH
Name (10Ar)-6-oxodecahydro-7,10-methanopyrido[1,2-A]azepin-9-yl 4-phenylpiperidine-1-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.225642831 u
Formula C23H30N2O3
InChI InChI=1S/C23H30N2O3/c26-22-18-14-19(20-8-4-5-11-25(20)22)21(15-18)28-23(27)24-12-9-17(10-13-24)16-6-2-1-3-7-16/h1-3,6-7,17-21H,4-5,8-15H2/t18?,19?,20-,21?/m1/s1
InChIKey MORCQQHPUGUOSQ-WTLQVUHWSA-N
Molecular Weight 382.504 g/mol
SMILES C1N(CCC(C1)C1=CC=CC=C1)C(=O)OC1CC2C(N3[C@@](C1C2)(CCCC3)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922128