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Bicyclo[3.1.0]hexan-2-one, 3-(4-iodobutyl)-5,6-diphenyl-, (1.alpha.,3.alpha.,5.alpha.,6.beta.)-
SpectraBase Compound ID LNiWF05xPdH
InChI InChI=1S/C22H23IO/c23-14-8-7-11-17-15-22(18-12-5-2-6-13-18)19(20(22)21(17)24)16-9-3-1-4-10-16/h1-6,9-10,12-13,17,19-20H,7-8,11,14-15H2/t17-,19+,20+,22-/m1/s1
InChIKey GGYCBVPBORCHMN-IWLVTHKOSA-N
Mol Weight 430.33 g/mol
Molecular Formula C22H23IO
Exact Mass 430.07936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HminjczwDQb
Name Bicyclo[3.1.0]hexan-2-one, 3-(4-iodobutyl)-5,6-diphenyl-, (1.alpha.,3.alpha.,5.alpha.,6.beta.)-
Alternate Name(s) (1R,3R,5R,6R)-3-(4-iodobutyl)-5,6-diphenylbicyclo[3.1.0]hexan-2-one trans-5,6-diphenyl-exo-3-(4-iodobutyl)-bicyclo(3.1.0)hexan-2-one
CAS Registry Number 56434-88-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23IO
InChI InChI=1S/C22H23IO/c23-14-8-7-11-17-15-22(18-12-5-2-6-13-18)19(20(22)21(17)24)16-9-3-1-4-10-16/h1-6,9-10,12-13,17,19-20H,7-8,11,14-15H2/t17-,19+,20+,22-/m1/s1
InChIKey GGYCBVPBORCHMN-IWLVTHKOSA-N
Molecular Weight 430.329 g/mol
SMILES [C@]12([C@@](C(=O)[C@@](C2)(CCCCI)[H])([H])[C@@]1(c1ccccc1)[H])c1ccccc1
SPLASH splash10-0a4i-1090000000-56ecdb0fe01c6baeb8b1
Source of Spectrum C-97-3736-0
Wiley ID 1381463