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Hexahydro-1H-pyrrolo[1,2-b](2,4)-benzodiazepin-1,5-dione

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

Hexahydro-1H-pyrrolo[1,2-b](2,4)-benzodiazepin-1,5-dione
SpectraBase Compound ID 2LdkOauBpzG
InChI InChI=1S/C12H12N2O2/c15-11-6-5-10-13-12(16)9-4-2-1-3-8(9)7-14(10)11/h1-4,10H,5-7H2,(H,13,16)
InChIKey HQGXXFZSOBACCQ-UHFFFAOYSA-N
Mol Weight 216.24 g/mol
Molecular Formula C12H12N2O2
Exact Mass 216.089878 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID kDpsS0VooW
Name Hexahydro-1H-pyrrolo[1,2-B](2,4)-benzodiazepin-1,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.089877632 u
Formula C12H12N2O2
InChI InChI=1S/C12H12N2O2/c15-11-6-5-10-13-12(16)9-4-2-1-3-8(9)7-14(10)11/h1-4,10H,5-7H2,(H,13,16)
InChIKey HQGXXFZSOBACCQ-UHFFFAOYSA-N
Molecular Weight 216.240 g/mol
SMILES C12N(CC=3C(C(N2)=O)=CC=CC3)C(CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971225