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3-Allyl-4-thioxo-1H-pyrimidin-2-one
SpectraBase Compound ID qV7D1QYJ3n
InChI InChI=1S/C7H8N2OS/c1-2-5-9-6(11)3-4-8-7(9)10/h2-4H,1,5H2,(H,8,10)
InChIKey BVXWDRFNXVCLRF-UHFFFAOYSA-N
Mol Weight 168.21 g/mol
Molecular Formula C7H8N2OS
Exact Mass 168.035734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EwEnqH6TVPK
Name 3-Allyl-4-thioxo-1H-pyrimidin-2-one
Alternate Name(s) 3-Allyl-4-thioxo-3,4-dihydro-2(1H)-pyrimidinone 3-Prop-2-enyl-4-sulfanylidene-1H-pyrimidin-2-one
CAS Registry Number 105173-97-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8N2OS
InChI InChI=1S/C7H8N2OS/c1-2-5-9-6(11)3-4-8-7(9)10/h2-4H,1,5H2,(H,8,10)
InChIKey BVXWDRFNXVCLRF-UHFFFAOYSA-N
Molecular Weight 168.214 g/mol
SMILES N1C=CC(N(C1=O)CC=C)=S
SPLASH splash10-0udi-1900000000-c31e24db9b5695786fd5
Source of Spectrum F-41-5292-6
Wiley ID 1164006