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6-Acetoxy-2-methyl-2H-pyran-3(6H)-one isomer
SpectraBase Compound ID GSVvxLCyOI
InChI InChI=1S/C8H10O4/c1-5-7(10)3-4-8(11-5)12-6(2)9/h3-5,8H,1-2H3/t5?,8-/m0/s1
InChIKey GMRFAZZMYGJAQO-DWHDZERNSA-N
Mol Weight 170.16 g/mol
Molecular Formula C8H10O4
Exact Mass 170.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LTYMDXO8MdB
Name 6-Acetoxy-2-methyl-2H-pyran-3(6H)-one isomer
Alternate Name(s) (2S)-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl acetate (6S)-6-acetyloxy-2-methyl-2H-pyran-3(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10O4
InChI InChI=1S/C8H10O4/c1-5-7(10)3-4-8(11-5)12-6(2)9/h3-5,8H,1-2H3/t5?,8-/m0/s1
InChIKey GMRFAZZMYGJAQO-DWHDZERNSA-N
Molecular Weight 170.164 g/mol
SMILES [C@@]1(OC(C(C=C1)=O)C)(OC(=O)C)[H]
SPLASH splash10-01so-9400000000-c5555e596800939db656
Source of Spectrum Y-28-1333-5
Wiley ID 1166338