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Pyrazin-2(1H)-one, 5,6-dihydro-3-[2-oxo-2-(4-tolyl)ethyl]-

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

Pyrazin-2(1H)-one, 5,6-dihydro-3-[2-oxo-2-(4-tolyl)ethyl]-
SpectraBase Compound ID ATntKD3x4sN
InChI InChI=1S/C13H14N2O2/c1-9-2-4-10(5-3-9)12(16)8-11-13(17)15-7-6-14-11/h2-5H,6-8H2,1H3,(H,15,17)
InChIKey HIXHQZKXFNOYBV-UHFFFAOYSA-N
Mol Weight 230.27 g/mol
Molecular Formula C13H14N2O2
Exact Mass 230.105528 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 97GZL2KbRZW
Name Pyrazin-2(1H)-one, 5,6-dihydro-3-[2-oxo-2-(4-tolyl)ethyl]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.105527697 u
Formula C13H14N2O2
InChI InChI=1S/C13H14N2O2/c1-9-2-4-10(5-3-9)12(16)8-11-13(17)15-7-6-14-11/h2-5H,6-8H2,1H3,(H,15,17)
InChIKey HIXHQZKXFNOYBV-UHFFFAOYSA-N
Molecular Weight 230.267 g/mol
SMILES C=1(C(NCCN1)=O)CC(C1=CC=C(C)C=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887468