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4-(3-(2-Naphthoxy)propylthio)-6-methyl-2(1H)-pyrimidinone

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

4-(3-(2-Naphthoxy)propylthio)-6-methyl-2(1H)-pyrimidinone
SpectraBase Compound ID Hd8cylMpWmK
InChI InChI=1S/C18H18N2O2S/c1-13-11-17(20-18(21)19-13)23-10-4-9-22-16-8-7-14-5-2-3-6-15(14)12-16/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,19,20,21)
InChIKey LLLLHEVLZNTIIK-UHFFFAOYSA-N
Mol Weight 326.41 g/mol
Molecular Formula C18H18N2O2S
Exact Mass 326.108899 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BgYgr6Trv1A
Name 4-(3-(2-Naphthoxy)propylthio)-6-methyl-2(1H)-pyrimidinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.108899000 u
Formula C18H18N2O2S
InChI InChI=1S/C18H18N2O2S/c1-13-11-17(20-18(21)19-13)23-10-4-9-22-16-8-7-14-5-2-3-6-15(14)12-16/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,19,20,21)
InChIKey LLLLHEVLZNTIIK-UHFFFAOYSA-N
Molecular Weight 326.414 g/mol
SMILES C1(N=C(C=C(N1)C)SCCCOC1=CC2=C(C=C1)C=CC=C2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809117