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4-benzylidene-2-hydroxy-3-pinone
SpectraBase Compound ID 9bAUrNj7s5G
InChI InChI=1S/C17H20O2/c1-16(2)13-10-14(16)17(3,19)15(18)12(13)9-11-7-5-4-6-8-11/h4-9,13-14,19H,10H2,1-3H3/t13-,14-,17?/m0/s1
InChIKey OYDCXFJBOSJLQF-CBVZESEGSA-N
Mol Weight 256.34 g/mol
Molecular Formula C17H20O2
Exact Mass 256.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jsb0OIbvx5
Name 4-benzylidene-2-hydroxy-3-pinone
Appearance Colorless transparent crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O2
InChI InChI=1S/C17H20O2/c1-16(2)13-10-14(16)17(3,19)15(18)12(13)9-11-7-5-4-6-8-11/h4-9,13-14,19H,10H2,1-3H3/t13-,14-,17?/m0/s1
InChIKey OYDCXFJBOSJLQF-CBVZESEGSA-N
Ionization Type EI
Molecular Weight 256.345 g/mol
Optical Rotation [a]D20 = +18.4 (c = 0.5, CH3OH)
SMILES OC1(C)[C@]2(C[C@@](C(C1=O)=Cc1ccccc1)(C2(C)C)[H])[H]
SPLASH splash10-0002-9200000000-6930a23931de49c305c7
Source of Spectrum CN102826983A
Wiley ID 1846616