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N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]-2-furamide
SpectraBase Compound ID Lt2jyW0NtRY
InChI InChI=1S/C28H31N3O5S/c1-19-12-14-24(23(16-19)31(33)34)35-18-20-13-15-25(36-20)27(32)30-28-22(17-29)21-10-8-6-4-2-3-5-7-9-11-26(21)37-28/h12-16H,2-11,18H2,1H3,(H,30,32)
InChIKey RDOJHZJWEHNCMK-UHFFFAOYSA-N
Mol Weight 521.63 g/mol
Molecular Formula C28H31N3O5S
Exact Mass 521.198442 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2OmqwNKx5l3
Name N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]-2-furamide
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/C28H31N3O5S/c1-19-12-14-24(23(16-19)31(33)34)35-18-20-13-15-25(36-20)27(32)30-28-22(17-29)21-10-8-6-4-2-3-5-7-9-11-26(21)37-28/h12-16H,2-11,18H2,1H3,(H,30,32)
InChIKey RDOJHZJWEHNCMK-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11020
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/1020239; Labnumber: MVY0142; UZI_ID: UZI-011022
Temperature 308 °C