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erythro-4-tert-butoxy-5-iodooctane
SpectraBase Compound ID KnGZ03AwuiY
InChI InChI=1S/C12H25IO/c1-6-8-10(13)11(9-7-2)14-12(3,4)5/h10-11H,6-9H2,1-5H3
InChIKey AFFGCAYPUDSCJT-UHFFFAOYSA-N
Mol Weight 312.24 g/mol
Molecular Formula C12H25IO
Exact Mass 312.09501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CuJbD9x85ox
Name erythro-4-tert-butoxy-5-iodooctane
Alternate Name(s) threo-4-tert-butoxy-5-iodooctane 4-tert-Butoxy-5-iodooctane tert-Butyl 2-iodo-1-propylpentyl ether
CAS Registry Number 111558-80-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H25IO
InChI InChI=1S/C12H25IO/c1-6-8-10(13)11(9-7-2)14-12(3,4)5/h10-11H,6-9H2,1-5H3
InChIKey AFFGCAYPUDSCJT-UHFFFAOYSA-N
Molecular Weight 312.235 g/mol
SMILES C(OC(C)(C)C)(C(I)CCC)CCC
SPLASH splash10-0a4i-9100000000-0e66c5bff94906cc4852
Source of Spectrum J-53-200-0
Wiley ID 1312876