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3-[(2-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)-4-methoxybenzamide
SpectraBase Compound ID 214t1qR5NTU
InChI InChI=1S/C30H33BrN2O3S/c1-35-26-17-16-21(18-22(26)20-36-27-14-11-10-13-25(27)31)29(34)33-30-24(19-32)23-12-8-6-4-2-3-5-7-9-15-28(23)37-30/h10-11,13-14,16-18H,2-9,12,15,20H2,1H3,(H,33,34)
InChIKey OFSSVXUFPNFUJZ-UHFFFAOYSA-N
Mol Weight 581.6 g/mol
Molecular Formula C30H33BrN2O3S
Exact Mass 580.139527 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7VrtbHbGKdc
Name 3-[(2-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)-4-methoxybenzamide
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/C30H33BrN2O3S/c1-35-26-17-16-21(18-22(26)20-36-27-14-11-10-13-25(27)31)29(34)33-30-24(19-32)23-12-8-6-4-2-3-5-7-9-15-28(23)37-30/h10-11,13-14,16-18H,2-9,12,15,20H2,1H3,(H,33,34)
InChIKey OFSSVXUFPNFUJZ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10149
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/1264372; Labnumber: JVT2726; UZI_ID: UZI-010151
Temperature 308 °C