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N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzamide
SpectraBase Compound ID FKOQ9d0LSUc
InChI InChI=1S/C25H21N3O3S/c26-12-18-17-3-1-2-4-19(17)32-23(18)27-22(29)13-7-9-16(10-8-13)28-24(30)20-14-5-6-15(11-14)21(20)25(28)31/h5-10,14-15,20-21H,1-4,11H2,(H,27,29)
InChIKey FWBAUIDWWDCHST-UHFFFAOYSA-N
Mol Weight 443.52 g/mol
Molecular Formula C25H21N3O3S
Exact Mass 443.130363 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5dD6T9ecm6R
Name N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzamide
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/C25H21N3O3S/c26-12-18-17-3-1-2-4-19(17)32-23(18)27-22(29)13-7-9-16(10-8-13)28-24(30)20-14-5-6-15(11-14)21(20)25(28)31/h5-10,14-15,20-21H,1-4,11H2,(H,27,29)
InChIKey FWBAUIDWWDCHST-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3520
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: 112253; Labnumber: AMIR-4668; VK_ID: VK-003521
Temperature 308 °C