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3-Phenyl-4-[1(E)-propenyl]-3,4,5,6-tetrahydro-2(1H)-pyrimidinone
SpectraBase Compound ID Gp5XMGIyKKh
InChI InChI=1S/C13H16N2O/c1-2-6-11-9-10-14-13(16)15(11)12-7-4-3-5-8-12/h2-8,11H,9-10H2,1H3,(H,14,16)/b6-2+
InChIKey XKDHXFMSFYQLJV-QHHAFSJGSA-N
Mol Weight 216.28 g/mol
Molecular Formula C13H16N2O
Exact Mass 216.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DBJCJTo3ptR
Name 3-Phenyl-4-[1(E)-propenyl]-3,4,5,6-tetrahydro-2(1H)-pyrimidinone
Alternate Name(s) 1-Phenyl-6-[(1E)-1-propenyl]tetrahydro-2(1H)-pyrimidinone
CAS Registry Number 116699-98-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O
InChI InChI=1S/C13H16N2O/c1-2-6-11-9-10-14-13(16)15(11)12-7-4-3-5-8-12/h2-8,11H,9-10H2,1H3,(H,14,16)/b6-2+
InChIKey XKDHXFMSFYQLJV-QHHAFSJGSA-N
Molecular Weight 216.284 g/mol
SMILES N1CCC(N(C1=O)c1ccccc1)\C=C\C
SPLASH splash10-014i-0980000000-5de58019fcd640d3aa00
Source of Spectrum J-53-5739-8
Wiley ID 1215768