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4-[(cyclohexylsulfanyl)methyl]benzoic acid

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4-[(cyclohexylsulfanyl)methyl]benzoic acid
SpectraBase Compound ID L8BSIM51UMX
InChI InChI=1S/C14H18O2S/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,15,16)
InChIKey HNCXKUNNLIGFOT-UHFFFAOYSA-N
Mol Weight 250.36 g/mol
Molecular Formula C14H18O2S
Exact Mass 250.102751 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3NipoN8x2Ap
Name 4-[(cyclohexylsulfanyl)methyl]benzoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C14H18O2S/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,15,16)
InChIKey HNCXKUNNLIGFOT-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_3005
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/8325423; Labnumber: LP-2181117
Temperature 303 °C