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(3S,5R)-5-Acetoxy-3-hydroxy-2-methylcyclohex-1-ene-1-carboxaldehyde
SpectraBase Compound ID FwCCimUkBPC
InChI InChI=1S/C10H14O4/c1-6-8(5-11)3-9(4-10(6)13)14-7(2)12/h5,9-10,13H,3-4H2,1-2H3/t9-,10+/m1/s1
InChIKey AJVVOTZXQSFBIM-ZJUUUORDSA-N
Mol Weight 198.22 g/mol
Molecular Formula C10H14O4
Exact Mass 198.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72NKCYBlQTY
Name (3S,5R)-5-Acetoxy-3-hydroxy-2-methylcyclohex-1-ene-1-carboxaldehyde
Alternate Name(s) (1R,5S)-3-formyl-5-hydroxy-4-methyl-3-cyclohexen-1-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-6-8(5-11)3-9(4-10(6)13)14-7(2)12/h5,9-10,13H,3-4H2,1-2H3/t9-,10+/m1/s1
InChIKey AJVVOTZXQSFBIM-ZJUUUORDSA-N
Molecular Weight 198.218 g/mol
SMILES O[C@@]1(C(=C(C[C@](C1)(OC(=O)C)[H])C=O)C)[H]
SPLASH splash10-05o0-0900000000-f86a2db8cec3af9eb33e
Source of Spectrum F-47-3492-13
Wiley ID 1195252