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4-(4'-nitrobenzylidene)-2-hydroxy-3-pinone
SpectraBase Compound ID GIKOVCCc3gW
InChI InChI=1S/C17H19NO4/c1-16(2)13-9-14(16)17(3,20)15(19)12(13)8-10-4-6-11(7-5-10)18(21)22/h4-8,13-14,20H,9H2,1-3H3/t13-,14-,17?/m0/s1
InChIKey DSIPWIVHLGSOSR-CBVZESEGSA-N
Mol Weight 301.34 g/mol
Molecular Formula C17H19NO4
Exact Mass 301.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCxAoIXlrBy
Name 4-(4'-nitrobenzylidene)-2-hydroxy-3-pinone
Appearance Pale yellow needle crystals
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Formula C17H19NO4
InChI InChI=1S/C17H19NO4/c1-16(2)13-9-14(16)17(3,20)15(19)12(13)8-10-4-6-11(7-5-10)18(21)22/h4-8,13-14,20H,9H2,1-3H3/t13-,14-,17?/m0/s1
InChIKey DSIPWIVHLGSOSR-CBVZESEGSA-N
Ionization Type EI
Molecular Weight 301.342 g/mol
Optical Rotation [a]D20 = -57.8 (c = 0.5, CH3OH)
SMILES OC1(C)[C@]2(C[C@@](C(C1=O)=Cc1ccc(cc1)[N+](=O)[O-])(C2(C)C)[H])[H]
SPLASH splash10-0f6t-9031000000-3e68ddf59629c0b88e70
Source of Spectrum CN102826983A
Wiley ID 1846621