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2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]benzoic acid

View entire compound with spectra: 1 NMR

2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]benzoic acid
SpectraBase Compound ID D7bhXq6hrcY
InChI InChI=1S/C15H12O4S/c16-15(17)11-3-1-2-4-14(11)20-8-10-5-6-12-13(7-10)19-9-18-12/h1-7H,8-9H2,(H,16,17)
InChIKey DWPSVPGCPOWNJN-UHFFFAOYSA-N
Mol Weight 288.32 g/mol
Molecular Formula C15H12O4S
Exact Mass 288.04563 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4F8YkPVFfgL
Name 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]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/C15H12O4S/c16-15(17)11-3-1-2-4-14(11)20-8-10-5-6-12-13(7-10)19-9-18-12/h1-7H,8-9H2,(H,16,17)
InChIKey DWPSVPGCPOWNJN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2540
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: 111564; Labnumber: EX00112014; VK_ID: VK-002541
Temperature 308 °C