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5-methyl-2-[4-(5-methyl-1,3-benzodithiol-2-yl)phenyl]-1,3-benzodithiole
SpectraBase Compound ID F6BRoLRZIX2
InChI InChI=1S/C22H18S4/c1-13-3-9-17-19(11-13)25-21(23-17)15-5-7-16(8-6-15)22-24-18-10-4-14(2)12-20(18)26-22/h3-12,21-22H,1-2H3
InChIKey VIQRSHKIKHIZKM-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C22H18S4
Exact Mass 410.029135 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AOKBD2fmKNG
Name 5-methyl-2-[4-(5-methyl-1,3-benzodithiol-2-yl)phenyl]-1,3-benzodithiole
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/C22H18S4/c1-13-3-9-17-19(11-13)25-21(23-17)15-5-7-16(8-6-15)22-24-18-10-4-14(2)12-20(18)26-22/h3-12,21-22H,1-2H3
InChIKey VIQRSHKIKHIZKM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_15677
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: 987/00002425; Labnumber: 987/00002425218829; VK_ID: VK-015682
Temperature 308 °C