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5-(N-[2-(2-Isopropyl-5-methylphenoxy)ethyl]aminomethylene)-1,3-dimethylbarbituric acid

View entire compound with spectra: 1 NMR, and 2 MS (GC)

5-(N-[2-(2-Isopropyl-5-methylphenoxy)ethyl]aminomethylene)-1,3-dimethylbarbituric acid
SpectraBase Compound ID 8BqUFC1I5wp
InChI InChI=1S/C19H25N3O4/c1-12(2)14-7-6-13(3)10-16(14)26-9-8-20-11-15-17(23)21(4)19(25)22(5)18(15)24/h6-7,10-12,20H,8-9H2,1-5H3
InChIKey GIDLNFJDPQPIJM-UHFFFAOYSA-N
Mol Weight 359.43 g/mol
Molecular Formula C19H25N3O4
Exact Mass 359.184506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID bDn8qP05BS
Name 5-(N-[2-(2-Isopropyl-5-methylphenoxy)ethyl]aminomethylene)-1,3-dimethylbarbituric acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.184506293 u
Formula C19H25N3O4
InChI InChI=1S/C19H25N3O4/c1-12(2)14-7-6-13(3)10-16(14)26-9-8-20-11-15-17(23)21(4)19(25)22(5)18(15)24/h6-7,10-12,20H,8-9H2,1-5H3
InChIKey GIDLNFJDPQPIJM-UHFFFAOYSA-N
Molecular Weight 359.426 g/mol
SMILES CC1=CC(OCCNC=C2C(N(C(N(C2=O)C)=O)C)=O)=C(C(C)C)C=C1