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4-(4-Hydroxyphenyl)-2-methyl-1(2H)-phthalazinone, acetate

View entire compound with spectra: 1 NMR, and 1 FTIR

4-(4-Hydroxyphenyl)-2-methyl-1(2H)-phthalazinone, acetate
SpectraBase Compound ID 5SPI9hv49VQ
InChI InChI=1S/C17H14N2O3/c1-11(20)22-13-9-7-12(8-10-13)16-14-5-3-4-6-15(14)17(21)19(2)18-16/h3-10H,1-2H3
InChIKey XVBSCNORKQGZKZ-UHFFFAOYSA-N
Mol Weight 294.31 g/mol
Molecular Formula C17H14N2O3
Exact Mass 294.100442 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F1hNU88ZMLv
Name 4-(4-Hydroxyphenyl)-2-methyl-1(2H)-phthalazinone, acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.100442316 u
Formula C17H14N2O3
InChI InChI=1S/C17H14N2O3/c1-11(20)22-13-9-7-12(8-10-13)16-14-5-3-4-6-15(14)17(21)19(2)18-16/h3-10H,1-2H3
InChIKey XVBSCNORKQGZKZ-UHFFFAOYSA-N
Molecular Weight 294.310 g/mol
SMILES C1(=NN(C(C=2C1=CC=CC2)=O)C)C1=CC=C(C=C1)OC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919091