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(3S)-1,3-dihydroxy-3,7-dimethyl-6-octen-2-one
SpectraBase Compound ID 5pThwe9o9mX
InChI InChI=1S/C10H18O3/c1-8(2)5-4-6-10(3,13)9(12)7-11/h5,11,13H,4,6-7H2,1-3H3/t10-/m0/s1
InChIKey FOMPNSJZRJXFMV-JTQLQIEISA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BVq0O0bKss
Name (3S)-1,3-dihydroxy-3,7-dimethyl-6-octen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-8(2)5-4-6-10(3,13)9(12)7-11/h5,11,13H,4,6-7H2,1-3H3/t10-/m0/s1
InChIKey FOMPNSJZRJXFMV-JTQLQIEISA-N
Molecular Weight 186.251 g/mol
SMILES O[C@](C(CO)=O)(CCC=C(C)C)C
SPLASH splash10-066u-9400000000-3b18f991420ae1564d7e
Source of Spectrum KD-16-1804-1
Synonyms (3S)-1,3-dihydroxy-3,7-dimethyl-oct-6-en-2-one (3S)-3,7-dimethyl-1,3-bis(oxidanyl)oct-6-en-2-one
Wiley ID 1637754