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N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-9H-xanthene-9-carboxamide

View entire compound with spectra: 1 NMR

N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-9H-xanthene-9-carboxamide
SpectraBase Compound ID 2rA66Y7KJWU
InChI InChI=1S/C27H26N2O2S/c1-27(2,3)16-12-13-17-20(15-28)26(32-23(17)14-16)29-25(30)24-18-8-4-6-10-21(18)31-22-11-7-5-9-19(22)24/h4-11,16,24H,12-14H2,1-3H3,(H,29,30)
InChIKey HGVVCJMXERAYRS-UHFFFAOYSA-N
Mol Weight 442.58 g/mol
Molecular Formula C27H26N2O2S
Exact Mass 442.171499 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IQBIxtS9qCo
Name N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-9H-xanthene-9-carboxamide
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/C27H26N2O2S/c1-27(2,3)16-12-13-17-20(15-28)26(32-23(17)14-16)29-25(30)24-18-8-4-6-10-21(18)31-22-11-7-5-9-19(22)24/h4-11,16,24H,12-14H2,1-3H3,(H,29,30)
InChIKey HGVVCJMXERAYRS-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2199
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: UZI/8042321; UBI_ID: UBI-002200
Temperature 313 °C