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5-allyl-1-benzyl-5-isopropylbarbituric acid
SpectraBase Compound ID 7Rli3sqfAdR
InChI InChI=1S/C17H20N2O3/c1-4-10-17(12(2)3)14(20)18-16(22)19(15(17)21)11-13-8-6-5-7-9-13/h4-9,12H,1,10-11H2,2-3H3,(H,18,20,22)
InChIKey UTBDPHLYKXFUAA-UHFFFAOYSA-N
Mol Weight 300.36 g/mol
Molecular Formula C17H20N2O3
Exact Mass 300.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ezzSTCiynA
Name 5-ALLYL-1-BENZYL-5-ISOPROPYLBARBITURIC ACID
Source of Sample F. Sandberg, Karolinski Institute, Stockholm, Sweden
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N2O3
InChI InChI=1S/C17H20N2O3/c1-4-10-17(12(2)3)14(20)18-16(22)19(15(17)21)11-13-8-6-5-7-9-13/h4-9,12H,1,10-11H2,2-3H3,(H,18,20,22)
InChIKey UTBDPHLYKXFUAA-UHFFFAOYSA-N
Melting Point 120-121C
Molecular Weight 300.36
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BARBITURIC ACID, 5-ALLYL-1-BENZYL- 5-ISOPROPYL-,