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2(1H)-Pyrimidinone, 5-fluoro-4-(methylthio)-1-(phenylmethyl)-
SpectraBase Compound ID EtdKybMxEej
InChI InChI=1S/C12H11FN2OS/c1-17-11-10(13)8-15(12(16)14-11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKey MYFHRQZPIVADHL-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C12H11FN2OS
Exact Mass 250.057612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJGLD0xwdIY
Name 2(1H)-Pyrimidinone, 5-fluoro-4-(methylthio)-1-(phenylmethyl)-
Alternate Name(s) 1-Benzyl-4-methylthio-5-fluoropyrimidin-2-one 1-Benzyl-5-fluoro-4-(methylsulfanyl)-2(1H)-pyrimidinone
CAS Registry Number 81560-12-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11FN2OS
InChI InChI=1S/C12H11FN2OS/c1-17-11-10(13)8-15(12(16)14-11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKey MYFHRQZPIVADHL-UHFFFAOYSA-N
Molecular Weight 250.291 g/mol
SMILES C1(N=C(C(=CN1Cc1ccccc1)F)SC)=O
SPLASH splash10-0006-9040000000-24c1b856a4603f200f5a
Source of Spectrum SB-36-18-0
Wiley ID 1252930