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(3.alpha.,4.beta.,6.alpha.)-4-Iodomethyl-3,6-dimethyltetrahydro-2H-pyran-2-one
SpectraBase Compound ID 1DsIINMHnx0
InChI InChI=1S/C8H13IO2/c1-5-3-7(4-9)6(2)8(10)11-5/h5-7H,3-4H2,1-2H3/t5-,6+,7+/m0/s1
InChIKey JZEKTHLHGFGRIJ-RRKCRQDMSA-N
Mol Weight 268.09 g/mol
Molecular Formula C8H13IO2
Exact Mass 267.996025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6MDORu4nFPq
Name (3.alpha.,4.beta.,6.alpha.)-4-Iodomethyl-3,6-dimethyltetrahydro-2H-pyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13IO2
InChI InChI=1S/C8H13IO2/c1-5-3-7(4-9)6(2)8(10)11-5/h5-7H,3-4H2,1-2H3/t5-,6+,7+/m0/s1
InChIKey JZEKTHLHGFGRIJ-RRKCRQDMSA-N
Molecular Weight 268.094 g/mol
SMILES C1(O[C@@](C)(C[C@@]([C@]1(C)[H])(CI)[H])[H])=O
SPLASH splash10-0a4i-9000000000-ab82e0ed816fee6dc59f
Source of Spectrum F-67-8487-7
Synonyms (3R,4S,6S)-4-(iodomethyl)-3,6-dimethyltetrahydro-2H-pyran-2-one
Wiley ID 1571346