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Hexanoic acid, 6-iodo-3,4-dimethyl-, ethyl ester, (R*,S*)-(.+-.)-
SpectraBase Compound ID 2Z7ueEuGIA7
InChI InChI=1S/C10H19IO2/c1-4-13-10(12)7-9(3)8(2)5-6-11/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKey OHRHUAGFIMWXGS-BDAKNGLRSA-N
Mol Weight 298.16 g/mol
Molecular Formula C10H19IO2
Exact Mass 298.042975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IzqjCdzQPvq
Name Hexanoic acid, 6-iodo-3,4-dimethyl-, ethyl ester, (R*,S*)-(.+-.)-
Alternate Name(s) Ethyl (3S,4R)-6-iodo-3,4-dimethylhexanoate Ethyl (3SR,4RS)-6-iodo-3,4-dimethylhexanoate
CAS Registry Number 81472-26-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H19IO2
InChI InChI=1S/C10H19IO2/c1-4-13-10(12)7-9(3)8(2)5-6-11/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKey OHRHUAGFIMWXGS-BDAKNGLRSA-N
Molecular Weight 298.164 g/mol
SMILES C(C[C@@]([C@@](CCI)(C)[H])(C)[H])(=O)OCC
SPLASH splash10-00ss-9400000000-cf9202f63afb81e02857
Source of Spectrum KC-1983-958-0
Wiley ID 1300478