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Heptanoic acid, 7-(butylthio)-

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Heptanoic acid, 7-(butylthio)-
SpectraBase Compound ID L97DMqzGZaz
InChI InChI=1S/C11H22O2S/c1-2-3-9-14-10-7-5-4-6-8-11(12)13/h2-10H2,1H3,(H,12,13)
InChIKey XOPBNOKPOZTIIV-UHFFFAOYSA-N
Mol Weight 218.35 g/mol
Molecular Formula C11H22O2S
Exact Mass 218.134051 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4EpYgurKxhR
Name 7-(butylsulfanyl)heptanoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C11H22O2S/c1-2-3-9-14-10-7-5-4-6-8-11(12)13/h2-10H2,1H3,(H,12,13)
InChIKey XOPBNOKPOZTIIV-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_4710
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/9254673; IOH_ID: IOH-004711
Temperature 303 °C