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2-hydroxy-3-{8-[(4-methylphenyl)sulfanyl]octyl}naphthoquinone
SpectraBase Compound ID Y4ShrI8QX
InChI InChI=1S/C25H28O3S/c1-18-13-15-19(16-14-18)29-17-9-5-3-2-4-6-12-22-23(26)20-10-7-8-11-21(20)24(27)25(22)28/h7-8,10-11,13-16,28H,2-6,9,12,17H2,1H3
InChIKey XYHZEVRLMDPHBJ-UHFFFAOYSA-N
Mol Weight 408.56 g/mol
Molecular Formula C25H28O3S
Exact Mass 408.175916 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3wzKjY8oSkH
Name 2-hydroxy-3-{8-[(4-methylphenyl)sulfanyl]octyl}naphthoquinone
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/C25H28O3S/c1-18-13-15-19(16-14-18)29-17-9-5-3-2-4-6-12-22-23(26)20-10-7-8-11-21(20)24(27)25(22)28/h7-8,10-11,13-16,28H,2-6,9,12,17H2,1H3
InChIKey XYHZEVRLMDPHBJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_18147
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Source File Reference VendorID: 987/00006812; Labnumber: 987/00006812218883; VK_ID: VK-018154
Temperature 308 °C