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Bicyclo[4.2.0]octan-7-one, 6-(benzoyloxy)-8-phenyl-, (1.alpha.,6.alpha.,8.alpha.)-
SpectraBase Compound ID 4g5dN0iNsTi
InChI InChI=1S/C21H20O3/c22-19-18(15-9-3-1-4-10-15)17-13-7-8-14-21(17,19)24-20(23)16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2/t17-,18-,21+/m1/s1
InChIKey GLWPXHYXTXNPHP-OPYAIIAOSA-N
Mol Weight 320.39 g/mol
Molecular Formula C21H20O3
Exact Mass 320.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9oG2DX1fzvr
Name Bicyclo[4.2.0]octan-7-one, 6-(benzoyloxy)-8-phenyl-, (1.alpha.,6.alpha.,8.alpha.)-
Alternate Name(s) (1S,6R,7S)-8-oxo-7-phenylbicyclo[4.2.0]oct-1-yl benzoate exo-1-(benzoyloxy)-7-phenyl-cis-bicyclo[4.2.0]octan-8-one
CAS Registry Number 103150-23-8
Comments Less than 3 mono-isotopic peaks
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Formula C21H20O3
InChI InChI=1S/C21H20O3/c22-19-18(15-9-3-1-4-10-15)17-13-7-8-14-21(17,19)24-20(23)16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2/t17-,18-,21+/m1/s1
InChIKey GLWPXHYXTXNPHP-OPYAIIAOSA-N
Molecular Weight 320.388 g/mol
SMILES [C@]12(C(=O)[C@@]([C@]2(CCCC1)[H])(c1ccccc1)[H])OC(=O)c1ccccc1
SPLASH splash10-0a4i-1900000000-f8c81bdc66493cbba1b6
Source of Spectrum J-51-3319-14
Wiley ID 1320513