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(3.alpha.,4.alpha.,6.alpha.)-4-Iodomethyl-3,5-dimethyltetrahydro-2H-pyran-2-one
SpectraBase Compound ID H2L3lxnrLJ5
InChI InChI=1S/C8H13IO2/c1-5-4-11-8(10)6(2)7(5)3-9/h5-7H,3-4H2,1-2H3/t5?,6-,7-/m0/s1
InChIKey WXCDNPLALFPODT-BYRXKDITSA-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 HxLRswlMHKt
Name (3.alpha.,4.alpha.,6.alpha.)-4-Iodomethyl-3,5-dimethyltetrahydro-2H-pyran-2-one
Alternate Name(s) (3S,4S)-4-(iodomethyl)-3,5-dimethyltetrahydro-2H-pyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13IO2
InChI InChI=1S/C8H13IO2/c1-5-4-11-8(10)6(2)7(5)3-9/h5-7H,3-4H2,1-2H3/t5?,6-,7-/m0/s1
InChIKey WXCDNPLALFPODT-BYRXKDITSA-N
Molecular Weight 268.094 g/mol
SMILES C1([C@]([C@](C(CO1)C)(CI)[H])(C)[H])=O
SPLASH splash10-0aou-9110000000-40f8301e535c978c59a8
Source of Spectrum F-67-8487-6
Wiley ID 1571345