For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-(3-Aminopropyl)-1,4-dioxo-1,2,3,4-tetrahydrophthalazine

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

2-(3-Aminopropyl)-1,4-dioxo-1,2,3,4-tetrahydrophthalazine
SpectraBase Compound ID 2p2y1IeGXFP
InChI InChI=1S/C11H13N3O2/c12-6-3-7-14-11(16)9-5-2-1-4-8(9)10(15)13-14/h1-2,4-5H,3,6-7,12H2,(H,13,15)
InChIKey PTUMXILTENAYOT-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C11H13N3O2
Exact Mass 219.100777 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Es0s6OiqtWo
Name 2-(3-Aminopropyl)-1,4-dioxo-1,2,3,4-tetrahydrophthalazine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.100776669 u
Formula C11H13N3O2
InChI InChI=1S/C11H13N3O2/c12-6-3-7-14-11(16)9-5-2-1-4-8(9)10(15)13-14/h1-2,4-5H,3,6-7,12H2,(H,13,15)
InChIKey PTUMXILTENAYOT-UHFFFAOYSA-N
Molecular Weight 219.244 g/mol
SMILES C1=CC=C2C(=C1)C(NN(C2=O)CCCN)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.896534