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2-Heptanone, 5,7-bis(acetyloxy)-6-methyl-, [S-(R*,S*)]-
SpectraBase Compound ID BfSPzujUssq
InChI InChI=1S/C12H20O5/c1-8(7-16-10(3)14)12(17-11(4)15)6-5-9(2)13/h8,12H,5-7H2,1-4H3/t8-,12+/m1/s1
InChIKey XTIDSURTQUFATE-PELKAZGASA-N
Mol Weight 244.29 g/mol
Molecular Formula C12H20O5
Exact Mass 244.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tRKU6ReIaO
Name 2-Heptanone, 5,7-bis(acetyloxy)-6-methyl-, [S-(R*,S*)]-
Alternate Name(s) (1S)-1-[(1R)-2-(acetyloxy)-1-methylethyl]-4-oxopentyl acetate 5,7-Diacetoxy-6-methyl-2-heptanone
CAS Registry Number 121286-87-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O5
InChI InChI=1S/C12H20O5/c1-8(7-16-10(3)14)12(17-11(4)15)6-5-9(2)13/h8,12H,5-7H2,1-4H3/t8-,12+/m1/s1
InChIKey XTIDSURTQUFATE-PELKAZGASA-N
Molecular Weight 244.287 g/mol
SMILES C(O[C@]([C@@](COC(=O)C)(C)[H])(CCC(=O)C)[H])(=O)C
SPLASH splash10-0udj-0900000000-00725d55621e529d1c3d
Source of Spectrum F-44-1646-10
Wiley ID 1246795