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2(1H)-Pyrimidinone, 5-fluoro-4-methoxy-1-(phenylmethyl)-

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

2(1H)-Pyrimidinone, 5-fluoro-4-methoxy-1-(phenylmethyl)-
SpectraBase Compound ID 7OxvWWR8c39
InChI InChI=1S/C12H11FN2O2/c1-17-11-10(13)8-15(12(16)14-11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKey GEXVRNGGXSXKQP-UHFFFAOYSA-N
Mol Weight 234.23 g/mol
Molecular Formula C12H11FN2O2
Exact Mass 234.080456 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BqqHrNmh8wn
Name 2(1H)-Pyrimidinone, 5-fluoro-4-methoxy-1-(phenylmethyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.080455763 u
Formula C12H11FN2O2
InChI InChI=1S/C12H11FN2O2/c1-17-11-10(13)8-15(12(16)14-11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKey GEXVRNGGXSXKQP-UHFFFAOYSA-N
Molecular Weight 234.230 g/mol
SMILES C1(N=C(C(=CN1CC=1C=CC=CC1)F)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933609