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1,3-Dimethyl-5-nitrouracil hydrate

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

1,3-Dimethyl-5-nitrouracil hydrate
SpectraBase Compound ID 1k6rmjVj0LQ
InChI InChI=1S/C6H7N3O4.O/c1-7-3-4(9(12)13)5(10)8(2)6(7)11;/h3H,1-2H3;
InChIKey RNYVIICMUMGOGK-UHFFFAOYSA-N
Mol Weight 201.14 g/mol
Molecular Formula C6H7N3O5
Exact Mass 201.03857 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AqzWYrTRFoU
Name 1,3-Dimethyl-5-nitrouracil hydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 441228
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7N3O5
InChI InChI=1S/C6H7N3O4.O/c1-7-3-4(9(12)13)5(10)8(2)6(7)11;/h3H,1-2H3;
InChIKey RNYVIICMUMGOGK-UHFFFAOYSA-N
Molecular Weight 201.138 g/mol
Observed nucleus 13C
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_014455