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2,4(1H,3H)-pyrimidinedione, 3,6-dimethyl-1-[5-(3-nitrophenoxy)pentyl]-
SpectraBase Compound ID TGt8soLmcz
InChI InChI=1S/C17H21N3O5/c1-13-11-16(21)18(2)17(22)19(13)9-4-3-5-10-25-15-8-6-7-14(12-15)20(23)24/h6-8,11-12H,3-5,9-10H2,1-2H3
InChIKey HQJWXRQCQJFKLK-UHFFFAOYSA-N
Mol Weight 347.37 g/mol
Molecular Formula C17H21N3O5
Exact Mass 347.148121 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HG5gEaOgbCh
Name 2,4(1H,3H)-pyrimidinedione, 3,6-dimethyl-1-[5-(3-nitrophenoxy)pentyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.148120783 u
Formula C17H21N3O5
InChI InChI=1S/C17H21N3O5/c1-13-11-16(21)18(2)17(22)19(13)9-4-3-5-10-25-15-8-6-7-14(12-15)20(23)24/h6-8,11-12H,3-5,9-10H2,1-2H3
InChIKey HQJWXRQCQJFKLK-UHFFFAOYSA-N
Molecular Weight 347.371 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8163
Solvent DMSO-d6
Source Vendor ID: NMR/9245712; Lab Info: SHY; Lab Number: SHY-0000070
Temperature 29.85 °C