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(4R,5R)-4-methyl-5-oxidanyl-heptan-3-one
SpectraBase Compound ID AOBluTXMhrF
InChI InChI=1S/C8H16O2/c1-4-7(9)6(3)8(10)5-2/h6-7,9H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKey GEZUGFBWAPDBGZ-RNFRBKRXSA-N
Mol Weight 144.21 g/mol
Molecular Formula C8H16O2
Exact Mass 144.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChsTx4ZHb01
Name (4R,5R)-4-methyl-5-oxidanyl-heptan-3-one
Alternate Name(s) (4R,5R)-5-hydroxy-4-methyl-3-heptanone (4R,5R)-5-hydroxy-4-methyl-heptan-3-one
CAS Registry Number 108864-90-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16O2
InChI InChI=1S/C8H16O2/c1-4-7(9)6(3)8(10)5-2/h6-7,9H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKey GEZUGFBWAPDBGZ-RNFRBKRXSA-N
Molecular Weight 144.214 g/mol
SMILES O[C@@]([C@](C(=O)CC)(C)[H])(CC)[H]
SPLASH splash10-0a4i-9100000000-7e3c77a1dbd9663a0490
Source of Spectrum F-42-4425-2
Wiley ID 1142830