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Bicyclo[3.1.0]hexan-2-one, 3-(3-hydroxypropyl)-5,6-diphenyl-, (1.alpha.,3.beta.,5.alpha.,6.beta.)-
SpectraBase Compound ID 4ekq1FRzAh8
InChI InChI=1S/C21H22O2/c22-13-7-10-16-14-21(17-11-5-2-6-12-17)18(19(21)20(16)23)15-8-3-1-4-9-15/h1-6,8-9,11-12,16,18-19,22H,7,10,13-14H2/t16-,18-,19-,21+/m0/s1
InChIKey SBUNUVCCJAGGBP-MCNSAMFCSA-N
Mol Weight 306.4 g/mol
Molecular Formula C21H22O2
Exact Mass 306.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3iLcXlJuQoZ
Name Bicyclo[3.1.0]hexan-2-one, 3-(3-hydroxypropyl)-5,6-diphenyl-, (1.alpha.,3.beta.,5.alpha.,6.beta.)-
Alternate Name(s) (1R,3S,5R,6R)-3-(3-hydroxypropyl)-5,6-diphenylbicyclo[3.1.0]hexan-2-one trans-8,9-diphenyl-2,3-dihydroxy-endo-tricyclo(6.1.0.0*2,6)non-2-ene
CAS Registry Number 56434-82-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O2
InChI InChI=1S/C21H22O2/c22-13-7-10-16-14-21(17-11-5-2-6-12-17)18(19(21)20(16)23)15-8-3-1-4-9-15/h1-6,8-9,11-12,16,18-19,22H,7,10,13-14H2/t16-,18-,19-,21+/m0/s1
InChIKey SBUNUVCCJAGGBP-MCNSAMFCSA-N
Molecular Weight 306.405 g/mol
SMILES OCCC[C@]1(C[C@@]2([C@@](C1=O)([H])[C@@]2(c1ccccc1)[H])c1ccccc1)[H]
SPLASH splash10-0a4l-3691000000-c136722aa003a1b4768b
Source of Spectrum C-97-3733-0
Wiley ID 1308629