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1-Ethoxymethyl-6-(phenylthio)uracil

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

1-Ethoxymethyl-6-(phenylthio)uracil
SpectraBase Compound ID 4Lp4qpXnzfX
InChI InChI=1S/C13H14N2O3S/c1-2-18-9-15-12(8-11(16)14-13(15)17)19-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,14,16,17)
InChIKey DTCUBSJAMNGQFU-UHFFFAOYSA-N
Mol Weight 278.33 g/mol
Molecular Formula C13H14N2O3S
Exact Mass 278.072513 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FSItuiDe0s8
Name 1-Ethoxymethyl-6-(phenylthio)uracil
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.072513490 u
Formula C13H14N2O3S
InChI InChI=1S/C13H14N2O3S/c1-2-18-9-15-12(8-11(16)14-13(15)17)19-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,14,16,17)
InChIKey DTCUBSJAMNGQFU-UHFFFAOYSA-N
SMILES C1(N(C(=CC(N1)=O)SC=1C=CC=CC1)COCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888335