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(3R,7S)-3,7-dimethyl-8-oxidanyl-octanoic acid
SpectraBase Compound ID Agt2aXNJGIA
InChI InChI=1S/C10H20O3/c1-8(6-10(12)13)4-3-5-9(2)7-11/h8-9,11H,3-7H2,1-2H3,(H,12,13)/t8-,9+/m1/s1
InChIKey FSNDRLKGWHCTQC-BDAKNGLRSA-N
Mol Weight 188.27 g/mol
Molecular Formula C10H20O3
Exact Mass 188.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9l6h8AtOaPh
Name (3R,7S)-3,7-dimethyl-8-oxidanyl-octanoic acid
Alternate Name(s) (3R,7S)-8-hydroxy-3,7-dimethyl-caprylic acid (3R,7S)-8-hydroxy-3,7-dimethyl-octanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O3
InChI InChI=1S/C10H20O3/c1-8(6-10(12)13)4-3-5-9(2)7-11/h8-9,11H,3-7H2,1-2H3,(H,12,13)/t8-,9+/m1/s1
InChIKey FSNDRLKGWHCTQC-BDAKNGLRSA-N
Molecular Weight 188.267 g/mol
SMILES OC[C@](CCC[C@](CC(=O)O)(C)[H])(C)[H]
SPLASH splash10-05n0-9100000000-44d3de1a601385aa7f09
Source of Spectrum J-62-1539-5
Wiley ID 1184670