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5-[(4-Hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)(3-nitrophenyl)methyl]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
SpectraBase Compound ID 4BOEq9uq50l
InChI InChI=1S/C19H17N3O8/c1-9-7-12(23)14(18(26)30-9)13(10-5-4-6-11(8-10)22(28)29)15-16(24)20(2)19(27)21(3)17(15)25/h4-8,13,15,23H,1-3H3
InChIKey XKTNULZLADFDSZ-UHFFFAOYSA-N
Mol Weight 415.36 g/mol
Molecular Formula C19H17N3O8
Exact Mass 415.101565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B83lczWfu9g
Name 5-[(4-Hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)(3-nitrophenyl)methyl]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.101564511 u
Formula C19H17N3O8
InChI InChI=1S/C19H17N3O8/c1-9-7-12(23)14(18(26)30-9)13(10-5-4-6-11(8-10)22(28)29)15-16(24)20(2)19(27)21(3)17(15)25/h4-8,13,15,23H,1-3H3
InChIKey XKTNULZLADFDSZ-UHFFFAOYSA-N
Instrument Name Kratos MS-30
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4609
Molecular Weight 415.358 g/mol
Quality 204
SMILES OC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C2C(N(C(N(C2=O)C)=O)C)=O)C(OC(=C1)C)=O
SPLASH splash10-0006-9520000000-1e292ade188304028f0c
Source of Spectrum Y-60-583-2i (DOI: 10.1002/jhet.4609)
Wiley ID 1894523