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1-(4-Chlorobenzyl)-6-(phenylthio)uracil
SpectraBase Compound ID 4V8RtJnqANt
InChI InChI=1S/C17H13ClN2O2S/c18-13-8-6-12(7-9-13)11-20-16(10-15(21)19-17(20)22)23-14-4-2-1-3-5-14/h1-10H,11H2,(H,19,21,22)
InChIKey PXNGPAOICIITLC-UHFFFAOYSA-N
Mol Weight 344.82 g/mol
Molecular Formula C17H13ClN2O2S
Exact Mass 344.038627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bc3U36vhgr0
Name 1-(4-Chlorobenzyl)-6-(phenylthio)uracil
Alternate Name(s) 1-(4-Chlorobenzyl)-6-(phenylsulfanyl)-2,4(1H,3H)-pyrimidinedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13ClN2O2S
InChI InChI=1S/C17H13ClN2O2S/c18-13-8-6-12(7-9-13)11-20-16(10-15(21)19-17(20)22)23-14-4-2-1-3-5-14/h1-10H,11H2,(H,19,21,22)
InChIKey PXNGPAOICIITLC-UHFFFAOYSA-N
Molecular Weight 344.816 g/mol
SMILES N1C(C=C(N(C1=O)Cc1ccc(cc1)Cl)Sc1ccccc1)=O
SPLASH splash10-00mk-9400000000-17a68e2c13efe3273c87
Source of Spectrum QC-25-994-5
Wiley ID 1584362