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3,6-dimethyl-1-[4-(pyrrolidin-1-yl)butyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione; butane-2,3-dione
SpectraBase Compound ID 4i9c9EWTGGf
InChI InChI=1S/C14H23N3O2.C2H2O4/c1-12-11-13(18)15(2)14(19)17(12)10-6-5-9-16-7-3-4-8-16;3-1(4)2(5)6/h11H,3-10H2,1-2H3;(H,3,4)(H,5,6)
InChIKey LMQOOGGCCQPUKE-UHFFFAOYSA-N
Mol Weight 355.39 g/mol
Molecular Formula C16H25N3O6
Exact Mass 355.174336 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ethtb5ckJBY
Name 3,6-dimethyl-1-[4-(pyrrolidin-1-yl)butyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione; butane-2,3-dione
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.174335531 u
Formula C16H25N3O6
InChI InChI=1S/C14H23N3O2.C2H2O4/c1-12-11-13(18)15(2)14(19)17(12)10-6-5-9-16-7-3-4-8-16;3-1(4)2(5)6/h11H,3-10H2,1-2H3;(H,3,4)(H,5,6)
InChIKey LMQOOGGCCQPUKE-UHFFFAOYSA-N
Molecular Weight 355.391 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10375
Solvent DMSO-d6
Source Vendor ID: NMR/9245691; Lab Info: SHY; Lab Number: SHY-0000049