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3-(4-Chlorophenyl)tetrahydro-1H-cyclopenta[d]pyrimidine-2,4(3H,4ah)-dione
SpectraBase Compound ID 71eaf5pSn1o
InChI InChI=1S/C13H13ClN2O2/c14-8-4-6-9(7-5-8)16-12(17)10-2-1-3-11(10)15-13(16)18/h4-7,10-11H,1-3H2,(H,15,18)
InChIKey PUIRIAORSWIIMG-UHFFFAOYSA-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 5VD9fayZSgS
Name 3-(4-Chlorophenyl)tetrahydro-1H-cyclopenta[d]pyrimidine-2,4(3H,4ah)-dione
Alternate Name(s) 3-(4-Chlorophenyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-dione 3-(4-Chlorophenyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-quinone cis-3-(4-Chlorophenyl)-perhydrocyclopenta[d]pyrimidin-2,4-dione
CAS Registry Number 128668-91-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClN2O2
InChI InChI=1S/C13H13ClN2O2/c14-8-4-6-9(7-5-8)16-12(17)10-2-1-3-11(10)15-13(16)18/h4-7,10-11H,1-3H2,(H,15,18)
InChIKey PUIRIAORSWIIMG-UHFFFAOYSA-N
Molecular Weight 264.712 g/mol
SMILES N1C(N(C(C2CCCC12)=O)c1ccc(cc1)Cl)=O
SPLASH splash10-0w4i-5930000000-32e6530a9c084065269e
Source of Spectrum O-25-278-2
Wiley ID 1267645