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3-iodo-5-(2-trimethylsilylethynyl)benzoic acid hexyl ester
SpectraBase Compound ID 2JunbeHl7Hr
InChI InChI=1S/C18H25IO2Si/c1-5-6-7-8-10-21-18(20)16-12-15(13-17(19)14-16)9-11-22(2,3)4/h12-14H,5-8,10H2,1-4H3
InChIKey USRCOKFBSNCKLT-UHFFFAOYSA-N
Mol Weight 428.39 g/mol
Molecular Formula C18H25IO2Si
Exact Mass 428.066852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ocGqE8ElOy
Name 3-iodo-5-(2-trimethylsilylethynyl)benzoic acid hexyl ester
Alternate Name(s) Hexyl 3-iodanyl-5-(2-trimethylsilylethynyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25IO2Si
InChI InChI=1S/C18H25IO2Si/c1-5-6-7-8-10-21-18(20)16-12-15(13-17(19)14-16)9-11-22(2,3)4/h12-14H,5-8,10H2,1-4H3
InChIKey USRCOKFBSNCKLT-UHFFFAOYSA-N
Molecular Weight 428.385 g/mol
SMILES C(#Cc1cc(C(=O)OCCCCCC)cc(c1)I)[Si](C)(C)C
SPLASH splash10-03di-0001900000-3384b364b54af0c12577
Source of Spectrum J-61-8167-2
Wiley ID 1380556