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5-[(benzylsulfanyl)methyl]-2-methoxybenzoic acid

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5-[(benzylsulfanyl)methyl]-2-methoxybenzoic acid
SpectraBase Compound ID 9LwU2q5ComE
InChI InChI=1S/C16H16O3S/c1-19-15-8-7-13(9-14(15)16(17)18)11-20-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,17,18)
InChIKey NIYAPGAPUFVRRF-UHFFFAOYSA-N
Mol Weight 288.36 g/mol
Molecular Formula C16H16O3S
Exact Mass 288.082016 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID rR5phip1N9
Name 5-[(benzylsulfanyl)methyl]-2-methoxybenzoic 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/C16H16O3S/c1-19-15-8-7-13(9-14(15)16(17)18)11-20-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,17,18)
InChIKey NIYAPGAPUFVRRF-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12508
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: 100355; Labnumber: EAR1-249; VK_ID: VK-012513
Temperature 315 °C