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2-(CARBOXYMETHYLTHIO)-CYCLOHEXANONE

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2-(CARBOXYMETHYLTHIO)-CYCLOHEXANONE
SpectraBase Compound ID JlpH9wCqvxA
InChI InChI=1S/C8H12O3S/c9-6-3-1-2-4-7(6)12-5-8(10)11/h7H,1-5H2,(H,10,11)
InChIKey NCIJYCKCICAMTA-UHFFFAOYSA-N
Mol Weight 188.24 g/mol
Molecular Formula C8H12O3S
Exact Mass 188.050715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FJ7lnyVx0HK
Name 2-(CARBOXYMETHYLTHIO)-CYCLOHEXANONE
Compound Number XIX
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12O3S
InChI InChI=1S/C8H12O3S/c9-6-3-1-2-4-7(6)12-5-8(10)11/h7H,1-5H2,(H,10,11)
InChIKey NCIJYCKCICAMTA-UHFFFAOYSA-N
Literature Reference Author K.V.KUDRYATSEV,V.V.SAMOFIN
Literature Reference Citation CHEM.HET.COMP.,33,106(1997)
Literature Reference DOI 10.1007/bf02290756
Molecular Weight 188.241 g/mol
Solvent CDCl3
Source File Reference UWMZ14468