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2-(1-Oxo-butyl)-3-hydroxy-5-(tetrahydro-3-thiophenyl)-2-cyclohexen-1-one

View entire compound with spectra: 1 NMR

2-(1-Oxo-butyl)-3-hydroxy-5-(tetrahydro-3-thiophenyl)-2-cyclohexen-1-one
SpectraBase Compound ID 7f63Lx1nNd6
InChI InChI=1S/C14H20O3S/c1-2-3-11(15)14-12(16)6-10(7-13(14)17)9-4-5-18-8-9/h9-10,16H,2-8H2,1H3
InChIKey BXMYXGGSKXLLQT-UHFFFAOYSA-N
Mol Weight 268.37 g/mol
Molecular Formula C14H20O3S
Exact Mass 268.113316 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AaROtGEVHEu
Name 2-(1-Oxo-butyl)-3-hydroxy-5-(tetrahydro-3-thiophenyl)-2-cyclohexen-1-one
CAS Registry Number 107005-74-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H20O3S
InChI InChI=1S/C14H20O3S/c1-2-3-11(15)14-12(16)6-10(7-13(14)17)9-4-5-18-8-9/h9-10,16H,2-8H2,1H3
InChIKey BXMYXGGSKXLLQT-UHFFFAOYSA-N
Instrument Name Bruker AM-270
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3