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2(1H)-Pyrimidinone, tetrahydro-1,3-bis(2-hydroxy-3-nitrophenyl)-
SpectraBase Compound ID EZgpPGINagh
InChI InChI=1S/C16H14N4O7/c21-14-10(4-1-6-12(14)19(24)25)17-8-3-9-18(16(17)23)11-5-2-7-13(15(11)22)20(26)27/h1-2,4-7,21-22H,3,8-9H2
InChIKey KKGPDYYOBOQIMW-UHFFFAOYSA-N
Mol Weight 374.31 g/mol
Molecular Formula C16H14N4O7
Exact Mass 374.086249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IqjjqD5eQV6
Name 2(1H)-Pyrimidinone, tetrahydro-1,3-bis(2-hydroxy-3-nitrophenyl)-
CAS Registry Number 107913-49-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N4O7
InChI InChI=1S/C16H14N4O7/c21-14-10(4-1-6-12(14)19(24)25)17-8-3-9-18(16(17)23)11-5-2-7-13(15(11)22)20(26)27/h1-2,4-7,21-22H,3,8-9H2
InChIKey KKGPDYYOBOQIMW-UHFFFAOYSA-N
Molecular Weight 374.309 g/mol
SMILES Oc1c(N2C(N(c3cccc(c3O)N(=O)=O)CCC2)=O)cccc1N(=O)=O
SPLASH splash10-00xr-0409000000-bbb2b605b20ba273d849
Source of Spectrum C-109-3104-12
Synonyms 1,3-bis(2-hydroxy-3-nitrophenyl)tetrahydro-2(1H)-pyrimidinone 1,3-bis(2-hydroxy-3-nitrophenyl)tetrahydro-2-pyrimidinone
Wiley ID 1356379