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2-Methyl-2-pentyl-3-tributylstannylcycloheptanone

View entire compound with spectra: 1 MS (GC)

2-Methyl-2-pentyl-3-tributylstannylcycloheptanone
SpectraBase Compound ID 7omxx7Q1RvJ
InChI InChI=1S/C13H23O.3C4H9.Sn/c1-3-4-7-10-13(2)11-8-5-6-9-12(13)14;3*1-3-4-2;/h11H,3-10H2,1-2H3;3*1,3-4H2,2H3;/t13-;;;;/m1..../s1
InChIKey FWSDHSRUMHMFHA-SVZPRBGCSA-N
Mol Weight 485.4 g/mol
Molecular Formula C25H50OSn
Exact Mass 486.288368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AqU5AGYcEJU
Name 2-Methyl-2-pentyl-3-tributylstannylcycloheptanone
Alternate Name(s) (2S,3S)-2-Methyl-2-pentyl-3-tributylstannylcycloheptanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H50OSn
InChI InChI=1S/C13H23O.3C4H9.Sn/c1-3-4-7-10-13(2)11-8-5-6-9-12(13)14;3*1-3-4-2;/h11H,3-10H2,1-2H3;3*1,3-4H2,2H3;/t13-;;;;/m1..../s1
InChIKey FWSDHSRUMHMFHA-SVZPRBGCSA-N
Molecular Weight 485.385 g/mol
SMILES [C@@]1([C@@]([Sn](CCCC)(CCCC)CCCC)(CCCCC1=O)[H])(CCCCC)C
SPLASH splash10-05di-9320400000-98009bcb39fe2c0f89c7
Source of Spectrum F-48-3409-59
Wiley ID 1396458