4-[(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	8kEhObUO9Ev
InChI	InChI=1S/C29H31BrN2O2S/c30-25-12-9-10-13-26(25)34-20-21-15-17-22(18-16-21)28(33)32-29-24(19-31)23-11-7-5-3-1-2-4-6-8-14-27(23)35-29/h9-10,12-13,15-18H,1-8,11,14,20H2,(H,32,33)
InChIKey	DXNYNKXSEAYUPX-UHFFFAOYSA-N Google Search
Mol Weight	551.54 g/mol
Molecular Formula	C29H31BrN2O2S
Exact Mass	550.128962 g/mol

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SpectraBase Spectrum ID	G4mwPT6bqqw
Name	4-[(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/c30-25-12-9-10-13-26(25)34-20-21-15-17-22(18-16-21)28(33)32-29-24(19-31)23-11-7-5-3-1-2-4-6-8-14-27(23)35-29/h9-10,12-13,15-18H,1-8,11,14,20H2,(H,32,33)
InChIKey	DXNYNKXSEAYUPX-UHFFFAOYSA-N
NMR Offset	16.0772
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_10995
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/1016939; Labnumber: MVY0097; UZI_ID: UZI-010997
Temperature	308 °C