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2-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-furylmethyl)acetamide

View entire compound with spectra: 1 NMR

2-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-furylmethyl)acetamide
SpectraBase Compound ID JuTLAvSGkbQ
InChI InChI=1S/C30H25N5O4S/c36-26(31-18-22-12-7-17-39-22)19-40-30-33-32-25(35(30)21-10-2-1-3-11-21)15-6-16-34-28(37)23-13-4-8-20-9-5-14-24(27(20)23)29(34)38/h1-5,7-14,17H,6,15-16,18-19H2,(H,31,36)
InChIKey WOTVOLXXCFCDIW-UHFFFAOYSA-N
Mol Weight 551.62 g/mol
Molecular Formula C30H25N5O4S
Exact Mass 551.162725 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E7CsCohk2Ac
Name 2-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-furylmethyl)acetamide
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/C30H25N5O4S/c36-26(31-18-22-12-7-17-39-22)19-40-30-33-32-25(35(30)21-10-2-1-3-11-21)15-6-16-34-28(37)23-13-4-8-20-9-5-14-24(27(20)23)29(34)38/h1-5,7-14,17H,6,15-16,18-19H2,(H,31,36)
InChIKey WOTVOLXXCFCDIW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_10749
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: 135812; Labnumber: EX00131721; VK_ID: VK-010753
Temperature 318 °C