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trans-2-(4'-Iodobutyl)-3-tributylstannylcycloheptanone

View entire compound with spectra: 1 MS (GC)

trans-2-(4'-Iodobutyl)-3-tributylstannylcycloheptanone
SpectraBase Compound ID 5QkRvByI1U
InChI InChI=1S/C11H18IO.3C4H9.Sn/c12-9-5-4-7-10-6-2-1-3-8-11(10)13;3*1-3-4-2;/h6,10H,1-5,7-9H2;3*1,3-4H2,2H3;/t10-;;;;/m0..../s1
InChIKey UPFZJKSBZAPHFJ-CZEDPBFNSA-N
Mol Weight 583.2 g/mol
Molecular Formula C23H45IOSn
Exact Mass 584.153713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xmXPIomjmT
Name trans-2-(4'-Iodobutyl)-3-tributylstannylcycloheptanone
Alternate Name(s) (2S,3S)-2-(4-iodobutyl)-3-(tributylstannyl)cycloheptanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H45IOSn
InChI InChI=1S/C11H18IO.3C4H9.Sn/c12-9-5-4-7-10-6-2-1-3-8-11(10)13;3*1-3-4-2;/h6,10H,1-5,7-9H2;3*1,3-4H2,2H3;/t10-;;;;/m0..../s1
InChIKey UPFZJKSBZAPHFJ-CZEDPBFNSA-N
Molecular Weight 583.227 g/mol
SMILES [C@@]1([C@@]([Sn](CCCC)(CCCC)CCCC)(CCCCC1=O)[H])(CCCCI)[H]
SPLASH splash10-0690-9431010000-8716817e9de13b0147e0
Source of Spectrum F-48-3402-45
Wiley ID 1408795