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3,4,5,6,7,9,10,14b-Octahydro-12,13-dimethoxycyclopenta[a]pyrido[2,1-b][3]benzazepine

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3,4,5,6,7,9,10,14b-Octahydro-12,13-dimethoxycyclopenta[a]pyrido[2,1-b][3]benzazepine
SpectraBase Compound ID DrpVdoi557x
InChI InChI=1S/C19H25NO2/c1-21-17-12-14-7-11-20-10-4-3-8-19(20)9-5-6-16(19)15(14)13-18(17)22-2/h5-6,12-13,16H,3-4,7-11H2,1-2H3/t16-,19-/m0/s1
InChIKey UJDGDTMCTCABOG-LPHOPBHVSA-N
Mol Weight 299.41 g/mol
Molecular Formula C19H25NO2
Exact Mass 299.188529 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9oYFWlKlvCm
Name 3,4,5,6,7,9,10,14B-Octahydro-12,13-dimethoxycyclopenta[A]pyrido[2,1-B][3]benzazepine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.188529047 u
Formula C19H25NO2
InChI InChI=1S/C19H25NO2/c1-21-17-12-14-7-11-20-10-4-3-8-19(20)9-5-6-16(19)15(14)13-18(17)22-2/h5-6,12-13,16H,3-4,7-11H2,1-2H3/t16-,19-/m0/s1
InChIKey UJDGDTMCTCABOG-LPHOPBHVSA-N
SMILES C=12[C@]3([C@@]4(N(CCCC4)CCC1C=C(C(=C2)OC)OC)CC=C3)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910768