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Phthalazine-1-carboxylic acid, 4-oxo-3,4-dihydro-, ethyl ester

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

Phthalazine-1-carboxylic acid, 4-oxo-3,4-dihydro-, ethyl ester
SpectraBase Compound ID AHTDpBmkyPu
InChI InChI=1S/C11H10N2O3/c1-2-16-11(15)9-7-5-3-4-6-8(7)10(14)13-12-9/h3-6H,2H2,1H3,(H,13,14)
InChIKey VSYNNZHXKFVHJY-UHFFFAOYSA-N
Mol Weight 218.21 g/mol
Molecular Formula C11H10N2O3
Exact Mass 218.069142 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2e7bKx3XKE0
Name Phthalazine-1-carboxylic acid, 4-oxo-3,4-dihydro-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.069142187 u
Formula C11H10N2O3
InChI InChI=1S/C11H10N2O3/c1-2-16-11(15)9-7-5-3-4-6-8(7)10(14)13-12-9/h3-6H,2H2,1H3,(H,13,14)
InChIKey VSYNNZHXKFVHJY-UHFFFAOYSA-N
Molecular Weight 218.212 g/mol
SMILES C12=C(C=CC=C2)C(=NNC1=O)C(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957847