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Bicyclo[3.1.0]hexan-2-one, 3-(3-iodopropyl)-5,6-diphenyl-, (1.alpha.,3.alpha.,5.alpha.,6.beta.)-
SpectraBase Compound ID AE8NejD0IIN
InChI InChI=1S/C21H21IO/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/h1-6,8-9,11-12,16,18-19H,7,10,13-14H2/t16-,18+,19+,21-/m1/s1
InChIKey XZXAVCVJVNJEOA-BOFXEDATSA-N
Mol Weight 416.3 g/mol
Molecular Formula C21H21IO
Exact Mass 416.06371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1WjUYFStkvd
Name Bicyclo[3.1.0]hexan-2-one, 3-(3-iodopropyl)-5,6-diphenyl-, (1.alpha.,3.alpha.,5.alpha.,6.beta.)-
Alternate Name(s) (1R,3R,5R,6R)-3-(3-iodopropyl)-5,6-diphenylbicyclo[3.1.0]hexan-2-one trans-5,6-diphenyl-exo-3-(3-iodopropyl)-bicyclo(3.1.0)hexan-2-one
CAS Registry Number 56434-79-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21IO
InChI InChI=1S/C21H21IO/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/h1-6,8-9,11-12,16,18-19H,7,10,13-14H2/t16-,18+,19+,21-/m1/s1
InChIKey XZXAVCVJVNJEOA-BOFXEDATSA-N
Molecular Weight 416.302 g/mol
SMILES [C@]12([C@@](C(=O)[C@@](C2)(CCCI)[H])([H])[C@@]1(c1ccccc1)[H])c1ccccc1
SPLASH splash10-0a4i-7390000000-03acea3b4b69219c05f3
Source of Spectrum C-97-3732-0
Wiley ID 1376269