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5-Chloranyl-1-[(4-methoxyphenyl)sulfanylmethyl]pyrimidin-2-one

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5-Chloranyl-1-[(4-methoxyphenyl)sulfanylmethyl]pyrimidin-2-one
SpectraBase Compound ID 53SneYvyJM9
InChI InChI=1S/C12H11ClN2O2S/c1-17-10-2-4-11(5-3-10)18-8-15-7-9(13)6-14-12(15)16/h2-7H,8H2,1H3
InChIKey SZDVBDMCBDGRLU-UHFFFAOYSA-N
Mol Weight 282.75 g/mol
Molecular Formula C12H11ClN2O2S
Exact Mass 282.022976 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BD4dFONUDWm
Name 5-Chloranyl-1-[(4-methoxyphenyl)sulfanylmethyl]pyrimidin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.022976474 u
Formula C12H11ClN2O2S
InChI InChI=1S/C12H11ClN2O2S/c1-17-10-2-4-11(5-3-10)18-8-15-7-9(13)6-14-12(15)16/h2-7H,8H2,1H3
InChIKey SZDVBDMCBDGRLU-UHFFFAOYSA-N
SMILES C1(N(C=C(C=N1)Cl)CSC1=CC=C(C=C1)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894058