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1-[3-Hydroxypropoxy(phenyl)methyl]pyrimidine-2,4-dione

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

1-[3-Hydroxypropoxy(phenyl)methyl]pyrimidine-2,4-dione
SpectraBase Compound ID EDabpDzJwww
InChI InChI=1S/C14H16N2O4/c17-9-4-10-20-13(11-5-2-1-3-6-11)16-8-7-12(18)15-14(16)19/h1-3,5-8,13,17H,4,9-10H2,(H,15,18,19)
InChIKey SRRRFTRRQBQGEI-UHFFFAOYSA-N
Mol Weight 276.29 g/mol
Molecular Formula C14H16N2O4
Exact Mass 276.111007 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I8n8538JTc8
Name 1-[3-Hydroxypropoxy(phenyl)methyl]pyrimidine-2,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.111006999 u
Formula C14H16N2O4
InChI InChI=1S/C14H16N2O4/c17-9-4-10-20-13(11-5-2-1-3-6-11)16-8-7-12(18)15-14(16)19/h1-3,5-8,13,17H,4,9-10H2,(H,15,18,19)
InChIKey SRRRFTRRQBQGEI-UHFFFAOYSA-N
SMILES C1(N(C=CC(N1)=O)C(C1=CC=CC=C1)OCCCO)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912629