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syn-2,5-Bis[hydroxy(4-nitrophenyl)methyl]cyclopent-2-enone
SpectraBase Compound ID 5CVLMjpk40L
InChI InChI=1S/C19H16N2O7/c22-17(11-1-5-13(6-2-11)20(25)26)15-9-10-16(19(15)24)18(23)12-3-7-14(8-4-12)21(27)28/h1-9,16-18,22-23H,10H2
InChIKey PWNNTLBGOIGHSY-UHFFFAOYSA-N
Mol Weight 384.34 g/mol
Molecular Formula C19H16N2O7
Exact Mass 384.095751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E7qM69ICks5
Name syn-2,5-Bis[hydroxy(4-nitrophenyl)methyl]cyclopent-2-enone
Comments Less than 3 mono-isotopic peaks
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Formula C19H16N2O7
InChI InChI=1S/C19H16N2O7/c22-17(11-1-5-13(6-2-11)20(25)26)15-9-10-16(19(15)24)18(23)12-3-7-14(8-4-12)21(27)28/h1-9,16-18,22-23H,10H2
InChIKey PWNNTLBGOIGHSY-UHFFFAOYSA-N
Molecular Weight 384.344 g/mol
SMILES OC(C1C(C(C(c2ccc(N(=O)=O)cc2)O)=CC1)=O)c1ccc(N(=O)=O)cc1
SPLASH splash10-001i-0090000000-2a2c750a5ed689ae167f
Source of Spectrum U1-2002-3672-3
Synonyms anti-2,5-Bis[hydroxy(4-nitrophenyl)methyl]cyclopent-2-enone 2,5-bis[hydroxy(4-nitrophenyl)methyl]-2-cyclopenten-1-one
Wiley ID 1523435