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N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
SpectraBase Compound ID FJnH27DsaYr
InChI InChI=1S/C28H33N5O3S/c1-19-26(33(35)36)20(2)32(31-19)18-21-12-11-13-22(16-21)27(34)30-28-24(17-29)23-14-9-7-5-3-4-6-8-10-15-25(23)37-28/h11-13,16H,3-10,14-15,18H2,1-2H3,(H,30,34)
InChIKey RMTROHBWDUGZHE-UHFFFAOYSA-N
Mol Weight 519.7 g/mol
Molecular Formula C28H33N5O3S
Exact Mass 519.230411 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JaHLxZiRmhp
Name N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]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/C28H33N5O3S/c1-19-26(33(35)36)20(2)32(31-19)18-21-12-11-13-22(16-21)27(34)30-28-24(17-29)23-14-9-7-5-3-4-6-8-10-15-25(23)37-28/h11-13,16H,3-10,14-15,18H2,1-2H3,(H,30,34)
InChIKey RMTROHBWDUGZHE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16996
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/1026561; Labnumber: SAP5128; UZI_ID: UZI-017000
Temperature 308 °C