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4-(4'-Hydroxybenzylidene)-2-hydroxy-3-pinone
SpectraBase Compound ID AmugR2OOCkQ
InChI InChI=1S/C17H20O3/c1-16(2)13-9-14(16)17(3,20)15(19)12(13)8-10-4-6-11(18)7-5-10/h4-8,13-14,18,20H,9H2,1-3H3/t13-,14-,17?/m0/s1
InChIKey JZQZXWSBOFFCBV-CBVZESEGSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G6fRaYuk7hu
Name 4-(4'-Hydroxybenzylidene)-2-hydroxy-3-pinone
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-16(2)13-9-14(16)17(3,20)15(19)12(13)8-10-4-6-11(18)7-5-10/h4-8,13-14,18,20H,9H2,1-3H3/t13-,14-,17?/m0/s1
InChIKey JZQZXWSBOFFCBV-CBVZESEGSA-N
Ionization Type EI
Molecular Weight 272.344 g/mol
Optical Rotation [a]D20 = -15.6 (c = 0.5, CH3OH)
SMILES OC1([C@]2(C[C@@](C(=Cc3ccc(cc3)O)C1=O)(C2(C)C)[H])[H])C
SPLASH splash10-006t-9510000000-092bab487911a48efe60
Source of Spectrum CN102826983A
Wiley ID 1846619