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5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)-2-furamide

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5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)-2-furamide
SpectraBase Compound ID EKkoIiTEEhZ
InChI InChI=1S/C26H31ClN4O2S/c1-17-24(27)18(2)31(30-17)16-19-13-14-22(33-19)25(32)29-26-21(15-28)20-11-9-7-5-3-4-6-8-10-12-23(20)34-26/h13-14H,3-12,16H2,1-2H3,(H,29,32)
InChIKey HZVQFJJUWGWUDM-UHFFFAOYSA-N
Mol Weight 499.07 g/mol
Molecular Formula C26H31ClN4O2S
Exact Mass 498.185625 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LC3S8zQlmcJ
Name 5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)-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/C26H31ClN4O2S/c1-17-24(27)18(2)31(30-17)16-19-13-14-22(33-19)25(32)29-26-21(15-28)20-11-9-7-5-3-4-6-8-10-12-23(20)34-26/h13-14H,3-12,16H2,1-2H3,(H,29,32)
InChIKey HZVQFJJUWGWUDM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14461
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/1017162; UBI_ID: UBI-014464
Temperature 318 °C