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5-(3-Hydroxybut-1-yn-1-yl)-6-phenylpyridazin-3(2H)-one

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

5-(3-Hydroxybut-1-yn-1-yl)-6-phenylpyridazin-3(2H)-one
SpectraBase Compound ID Bi0pXh7x9Dh
InChI InChI=1S/C14H12N2O2/c1-10(17)7-8-12-9-13(18)15-16-14(12)11-5-3-2-4-6-11/h2-6,9-10,17H,1H3,(H,15,18)
InChIKey HXCLIOGMOTZYDP-UHFFFAOYSA-N
Mol Weight 240.26 g/mol
Molecular Formula C14H12N2O2
Exact Mass 240.089878 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FIr95Sbbuv5
Name 5-(3-Hydroxybut-1-yn-1-yl)-6-phenylpyridazin-3(2H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.089877632 u
Formula C14H12N2O2
InChI InChI=1S/C14H12N2O2/c1-10(17)7-8-12-9-13(18)15-16-14(12)11-5-3-2-4-6-11/h2-6,9-10,17H,1H3,(H,15,18)
InChIKey HXCLIOGMOTZYDP-UHFFFAOYSA-N
Molecular Weight 240.262 g/mol
SMILES C1(C=C(C(=NN1)C=1C=CC=CC1)C#CC(C)O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.822447