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Bicyclo[4.2.0]octan-7-one, 6-(acetyloxy)-8-phenyl-, (1.alpha.,6.alpha.,8.alpha.)-
SpectraBase Compound ID 25RyjaUQzad
InChI InChI=1S/C16H18O3/c1-11(17)19-16-10-6-5-9-13(16)14(15(16)18)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-10H2,1H3/t13-,14-,16+/m1/s1
InChIKey ADUKAAFNMQQUPC-FMKPAKJESA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 67F0g2Nrrrj
Name Bicyclo[4.2.0]octan-7-one, 6-(acetyloxy)-8-phenyl-, (1.alpha.,6.alpha.,8.alpha.)-
CAS Registry Number 103150-21-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-11(17)19-16-10-6-5-9-13(16)14(15(16)18)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-10H2,1H3/t13-,14-,16+/m1/s1
InChIKey ADUKAAFNMQQUPC-FMKPAKJESA-N
Molecular Weight 258.317 g/mol
SMILES [C@]12(C(=O)[C@@]([C@]2(CCCC1)[H])(c1ccccc1)[H])OC(=O)C
SPLASH splash10-014l-6950000000-687c7545b9e0b614e011
Source of Spectrum J-51-3319-14
Synonyms (1S,6R,7S)-8-oxo-7-phenylbicyclo[4.2.0]oct-1-yl acetate exo-1-acetoxy-7-phrnyl-cis-bicyclo[4.2.0]octan-8-one
Wiley ID 1262047