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4-Pyrimidinecarboxamide, 6-heptyl-2-(methylthio)-
SpectraBase Compound ID 6Z1hb70Dmat
InChI InChI=1S/C13H21N3OS/c1-3-4-5-6-7-8-10-9-11(12(14)17)16-13(15-10)18-2/h9H,3-8H2,1-2H3,(H2,14,17)
InChIKey FQQDQECFCACESK-UHFFFAOYSA-N
Mol Weight 267.39 g/mol
Molecular Formula C13H21N3OS
Exact Mass 267.140533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8RNgq4Y5dVC
Name 4-Pyrimidinecarboxamide, 6-heptyl-2-(methylthio)-
Alternate Name(s) 6-Heptyl-2-(methylthio)-4-pyrimidinecarboxamide 6-Heptyl-2-methylsulfanylpyrimidine-4-carboxamide 6-Heptyl-2-methylsulfanyl-pyrimidine-4-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21N3OS
InChI InChI=1S/C13H21N3OS/c1-3-4-5-6-7-8-10-9-11(12(14)17)16-13(15-10)18-2/h9H,3-8H2,1-2H3,(H2,14,17)
InChIKey FQQDQECFCACESK-UHFFFAOYSA-N
Molecular Weight 267.391 g/mol
SMILES NC(c1nc(nc(CCCCCCC)c1)SC)=O
SPLASH splash10-001l-9700000000-32fb294aae3f7b75fc41
Source of Spectrum IY-1-4277-8
Wiley ID 1650770