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3-(3-Chlorophenyl)tetrahydro-1H-cyclopenta[d]pyrimidine-2,4(3H,4ah)-dione
SpectraBase Compound ID G5pxWytpFL1
InChI InChI=1S/C13H13ClN2O2/c14-8-3-1-4-9(7-8)16-12(17)10-5-2-6-11(10)15-13(16)18/h1,3-4,7,10-11H,2,5-6H2,(H,15,18)/t10-,11+/m0/s1
InChIKey FJXJNAMILUXPMT-WDEREUQCSA-N
Mol Weight 264.71 g/mol
Molecular Formula C13H13ClN2O2
Exact Mass 264.066555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUFc6bA6SWk
Name 3-(3-Chlorophenyl)tetrahydro-1H-cyclopenta[d]pyrimidine-2,4(3H,4ah)-dione
Alternate Name(s) cis-3-(3-Chlorophenyl)-perhydrocyclopenta[d]pyrimidin-2,4-dione
CAS Registry Number 128668-90-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClN2O2
InChI InChI=1S/C13H13ClN2O2/c14-8-3-1-4-9(7-8)16-12(17)10-5-2-6-11(10)15-13(16)18/h1,3-4,7,10-11H,2,5-6H2,(H,15,18)/t10-,11+/m0/s1
InChIKey FJXJNAMILUXPMT-WDEREUQCSA-N
Molecular Weight 264.712 g/mol
SMILES N1[C@]2([C@@](C(N(C1=O)c1cc(Cl)ccc1)=O)(CCC2)[H])[H]
SPLASH splash10-0i29-9630000000-6057300113c4a0f2e2c8
Source of Spectrum O-25-278-2
Wiley ID 1267644