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Octahydro-pyrido[1,2-b](2,4)-benzodiazepin-1,6-dione

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Octahydro-pyrido[1,2-b](2,4)-benzodiazepin-1,6-dione
SpectraBase Compound ID H8ixTXpB4O4
InChI InChI=1S/C13H14N2O2/c16-12-7-3-6-11-14-13(17)10-5-2-1-4-9(10)8-15(11)12/h1-2,4-5,11H,3,6-8H2,(H,14,17)
InChIKey RYWCRXSOKKVTFI-UHFFFAOYSA-N
Mol Weight 230.27 g/mol
Molecular Formula C13H14N2O2
Exact Mass 230.105528 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2QXcob7qPHS
Name Octahydro-pyrido[1,2-B](2,4)-benzodiazepin-1,6-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.105527697 u
Formula C13H14N2O2
InChI InChI=1S/C13H14N2O2/c16-12-7-3-6-11-14-13(17)10-5-2-1-4-9(10)8-15(11)12/h1-2,4-5,11H,3,6-8H2,(H,14,17)
InChIKey RYWCRXSOKKVTFI-UHFFFAOYSA-N
Molecular Weight 230.267 g/mol
SMILES C12N(CC3=C(C(N2)=O)C=CC=C3)C(CCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95235