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pentanoic acid, 5-(octylthio)-

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pentanoic acid, 5-(octylthio)-
SpectraBase Compound ID 54MMiSwsBFP
InChI InChI=1S/C13H26O2S/c1-2-3-4-5-6-8-11-16-12-9-7-10-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKey PUCWEEYLJDJFDB-UHFFFAOYSA-N
Mol Weight 246.41 g/mol
Molecular Formula C13H26O2S
Exact Mass 246.165351 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ILboWZKrAAV
Name pentanoic acid, 5-(octylthio)-
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/C13H26O2S/c1-2-3-4-5-6-8-11-16-12-9-7-10-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKey PUCWEEYLJDJFDB-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_8516_7526
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: ZERO/001474; IOH_ID: IOH-014530
Temperature 303 °C