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4(1H)-Pyrimidinone, 2-amino-5-(4-chlorophenyl)-6-ethyl-5,6-dihydro-5-hydroxy-, trans-
SpectraBase Compound ID 4a4Yy6PHTVM
InChI InChI=1S/C12H14ClN3O2/c1-2-9-12(18,10(17)16-11(14)15-9)7-3-5-8(13)6-4-7/h3-6,9,18H,2H2,1H3,(H3,14,15,16,17)/t9-,12-/m1/s1
InChIKey YYTVCSYWKZYOKG-BXKDBHETSA-N
Mol Weight 267.72 g/mol
Molecular Formula C12H14ClN3O2
Exact Mass 267.077454 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kp2onZ343k
Name 4(1H)-Pyrimidinone, 2-amino-5-(4-chlorophenyl)-6-ethyl-5,6-dihydro-5-hydroxy-, trans-
Alternate Name(s) (5R,6R)-2-amino-5-(4-chlorophenyl)-6-ethyl-5-hydroxy-5,6-dihydro-4(1H)-pyrimidinone 2-Amino-5-(p-chlorophenyl)-t-6-ethyl-5,6-dihydro-r-5-hydroxy-4(3H)-pyrimidinone
CAS Registry Number 116730-39-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14ClN3O2
InChI InChI=1S/C12H14ClN3O2/c1-2-9-12(18,10(17)16-11(14)15-9)7-3-5-8(13)6-4-7/h3-6,9,18H,2H2,1H3,(H3,14,15,16,17)/t9-,12-/m1/s1
InChIKey YYTVCSYWKZYOKG-BXKDBHETSA-N
Molecular Weight 267.716 g/mol
SMILES O[C@]1(C(N=C(N[C@@]1(CC)[H])N)=O)c1ccc(cc1)Cl
SPLASH splash10-0zg0-9700000000-715b8de44e4b3e6e7a55
Source of Spectrum H-71-717-4
Wiley ID 1271010