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6-(METHYLSULFINYL)-HEXCANOIC-ACID

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6-(METHYLSULFINYL)-HEXCANOIC-ACID
SpectraBase Compound ID 8UdMx4CdEgf
InChI InChI=1S/C7H14O3S/c1-11(10)6-4-2-3-5-7(8)9/h2-6H2,1H3,(H,8,9)
InChIKey LMCSMHJWQWMKAE-UHFFFAOYSA-N
Mol Weight 178.25 g/mol
Molecular Formula C7H14O3S
Exact Mass 178.066365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5mvhzmSKL2S
Name 6-(METHYLSULFINYL)-HEXCANOIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H14O3S
InChI InChI=1S/C7H14O3S/c1-11(10)6-4-2-3-5-7(8)9/h2-6H2,1H3,(H,8,9)
InChIKey LMCSMHJWQWMKAE-UHFFFAOYSA-N
Literature Reference Author Y.LIU,J.C.VEDERAS
Literature Reference Citation J.ORG.CHEM.,61,7856(1996)
Literature Reference DOI 10.1021/jo961438d
Molecular Weight 178.246 g/mol
Solvent CD2Cl2