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(8as,9R,12Ar)-9-benzyloctahydro-1H,5H-benzo[B]pyrrolo[1,2-A]azepine-5,10(6H)-dione

View entire compound with spectra: 1 FTIR

(8as,9R,12Ar)-9-benzyloctahydro-1H,5H-benzo[B]pyrrolo[1,2-A]azepine-5,10(6H)-dione
SpectraBase Compound ID JVSfkaBfb7R
InChI InChI=1S/C20H25NO2/c22-18-10-12-20-11-5-13-21(20)19(23)9-4-8-17(20)16(18)14-15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2/t16-,17+,20-/m1/s1
InChIKey PGBLCADNVWWFCE-FUHIMQAGSA-N
Mol Weight 311.43 g/mol
Molecular Formula C20H25NO2
Exact Mass 311.188529 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HrwOvsAqOqF
Name (8as,9R,12Ar)-9-benzyloctahydro-1H,5H-benzo[B]pyrrolo[1,2-A]azepine-5,10(6H)-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.188529047 u
Formula C20H25NO2
InChI InChI=1S/C20H25NO2/c22-18-10-12-20-11-5-13-21(20)19(23)9-4-8-17(20)16(18)14-15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2/t16-,17+,20-/m1/s1
InChIKey PGBLCADNVWWFCE-FUHIMQAGSA-N
SMILES [C@]123N(C(CCC[C@]3([C@](C(CC1)=O)(CC1=CC=CC=C1)[H])[H])=O)CCC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960264