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erythro-1-tert-butoxy-1-phenyl-2-iodopropane
SpectraBase Compound ID DIzFolbpXUt
InChI InChI=1S/C13H19IO/c1-10(14)12(15-13(2,3)4)11-8-6-5-7-9-11/h5-10,12H,1-4H3
InChIKey NNRSQSIGYQASGT-UHFFFAOYSA-N
Mol Weight 318.2 g/mol
Molecular Formula C13H19IO
Exact Mass 318.04806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PPqwkoNTBZ
Name erythro-1-tert-butoxy-1-phenyl-2-iodopropane
Alternate Name(s) threo-1-tert-butoxy-1-phenyl-2-iodopropane (1-tert-butoxy-2-iodopropyl)benzene tert-Butyl 2-iodo-1-phenylpropyl ether
CAS Registry Number 111558-79-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19IO
InChI InChI=1S/C13H19IO/c1-10(14)12(15-13(2,3)4)11-8-6-5-7-9-11/h5-10,12H,1-4H3
InChIKey NNRSQSIGYQASGT-UHFFFAOYSA-N
Molecular Weight 318.198 g/mol
SMILES C(OC(C)(C)C)(c1ccccc1)C(I)C
SPLASH splash10-0a4i-6900000000-5e401dd79a38a0b447d6
Source of Spectrum J-53-200-0
Wiley ID 1318045