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Phthalazine-1-carboxylic acid, 4-oxo-3,4-dihydro-, benzylamide

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

Phthalazine-1-carboxylic acid, 4-oxo-3,4-dihydro-, benzylamide
SpectraBase Compound ID 4u9wHBRCuTt
InChI InChI=1S/C16H13N3O2/c20-15-13-9-5-4-8-12(13)14(18-19-15)16(21)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,21)(H,19,20)
InChIKey DKWNACHJTMDNTN-UHFFFAOYSA-N
Mol Weight 279.3 g/mol
Molecular Formula C16H13N3O2
Exact Mass 279.100777 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2ayCRDn9Rpl
Name Phthalazine-1-carboxylic acid, 4-oxo-3,4-dihydro-, benzylamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.100776669 u
Formula C16H13N3O2
InChI InChI=1S/C16H13N3O2/c20-15-13-9-5-4-8-12(13)14(18-19-15)16(21)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,21)(H,19,20)
InChIKey DKWNACHJTMDNTN-UHFFFAOYSA-N
SMILES C12=C(C=CC=C2)C(=NNC1=O)C(NCC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923826