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2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID FDV66UZEabh
InChI InChI=1S/C20H18ClN3OS3/c21-17-7-5-14(6-8-17)12-26-19-22-23-20(28-19)27-13-18(25)24-10-9-15-3-1-2-4-16(15)11-24/h1-8H,9-13H2
InChIKey DLHDQXHHULDOCF-UHFFFAOYSA-N
Mol Weight 448.02 g/mol
Molecular Formula C20H18ClN3OS3
Exact Mass 447.030053 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C0zQ4oXma8l
Name 2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]-1,2,3,4-tetrahydroisoquinoline
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/C20H18ClN3OS3/c21-17-7-5-14(6-8-17)12-26-19-22-23-20(28-19)27-13-18(25)24-10-9-15-3-1-2-4-16(15)11-24/h1-8H,9-13H2
InChIKey DLHDQXHHULDOCF-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17456
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: D27249; Labnumber: VGU-18433; SBI_ID: SBI-017459
Temperature 315 °C