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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)benzamide
SpectraBase Compound ID AXnVEgANNsF
InChI InChI=1S/C29H31BrN2O2S/c30-25-15-9-10-16-26(25)34-20-21-12-11-13-22(18-21)28(33)32-29-24(19-31)23-14-7-5-3-1-2-4-6-8-17-27(23)35-29/h9-13,15-16,18H,1-8,14,17,20H2,(H,32,33)
InChIKey RSJZHHNKUGPVNX-UHFFFAOYSA-N
Mol Weight 551.54 g/mol
Molecular Formula C29H31BrN2O2S
Exact Mass 550.128962 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ELZtgDMTgXf
Name 3-[(2-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)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/C29H31BrN2O2S/c30-25-15-9-10-16-26(25)34-20-21-12-11-13-22(18-21)28(33)32-29-24(19-31)23-14-7-5-3-1-2-4-6-8-17-27(23)35-29/h9-13,15-16,18H,1-8,14,17,20H2,(H,32,33)
InChIKey RSJZHHNKUGPVNX-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11044
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/1019998; Labnumber: MVY0181; UZI_ID: UZI-011046
Temperature 308 °C