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2-Methoxy-3-(phenylmethyl)-4-pyrimidinone

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2-Methoxy-3-(phenylmethyl)-4-pyrimidinone
SpectraBase Compound ID GbI6vMMgag4
InChI InChI=1S/C12H12N2O2/c1-16-12-13-8-7-11(15)14(12)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKey ISIQJZWYIHQIPC-UHFFFAOYSA-N
Mol Weight 216.24 g/mol
Molecular Formula C12H12N2O2
Exact Mass 216.089878 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8kzptohJ7V2
Name 2-Methoxy-3-(phenylmethyl)-4-pyrimidinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.089877632 u
Formula C12H12N2O2
InChI InChI=1S/C12H12N2O2/c1-16-12-13-8-7-11(15)14(12)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKey ISIQJZWYIHQIPC-UHFFFAOYSA-N
Molecular Weight 216.240 g/mol
SMILES C=1(N(C(C=CN1)=O)CC=1C=CC=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957635