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5-Ethoxycarbonyl-6-methyl-4-(2-isothiocyanatophenyl)-3,4-dihydropyrimidin-2(1H)-one
SpectraBase Compound ID IrHvykfihRt
InChI InChI=1S/C15H15N3O3S/c1-3-21-14(19)12-9(2)17-15(20)18-13(12)10-6-4-5-7-11(10)16-8-22/h4-7,13H,3H2,1-2H3,(H2,17,18,20)
InChIKey KVOFGZBTZUVBDA-UHFFFAOYSA-N
Mol Weight 317.36 g/mol
Molecular Formula C15H15N3O3S
Exact Mass 317.083413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I3NcBgAcHsr
Name 5-Ethoxycarbonyl-6-methyl-4-(2-isothiocyanatophenyl)-3,4-dihydropyrimidin-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15N3O3S
InChI InChI=1S/C15H15N3O3S/c1-3-21-14(19)12-9(2)17-15(20)18-13(12)10-6-4-5-7-11(10)16-8-22/h4-7,13H,3H2,1-2H3,(H2,17,18,20)
InChIKey KVOFGZBTZUVBDA-UHFFFAOYSA-N
Molecular Weight 317.363 g/mol
SMILES N1C(NC(=C(C1c1c(N=C=S)cccc1)C(=O)OCC)C)=O
SPLASH splash10-001l-0980000000-97c9550bb42431211b09
Source of Spectrum F-66-8159-5b
Wiley ID 1684552