3-[(4-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	KlXSUcZ1Opx
InChI	InChI=1S/C30H33BrN2O3S/c1-35-27-17-12-21(18-22(27)20-36-24-15-13-23(31)14-16-24)29(34)33-30-26(19-32)25-10-8-6-4-2-3-5-7-9-11-28(25)37-30/h12-18H,2-11,20H2,1H3,(H,33,34)
InChIKey	MJTJWYXHHGKLCR-UHFFFAOYSA-N Google Search
Mol Weight	581.6 g/mol
Molecular Formula	C30H33BrN2O3S
Exact Mass	580.139527 g/mol

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SpectraBase Spectrum ID	H7qgFUO0YI
Name	3-[(4-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/c1-35-27-17-12-21(18-22(27)20-36-24-15-13-23(31)14-16-24)29(34)33-30-26(19-32)25-10-8-6-4-2-3-5-7-9-11-28(25)37-30/h12-18H,2-11,20H2,1H3,(H,33,34)
InChIKey	MJTJWYXHHGKLCR-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_10125
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/1025799; Labnumber: JVT2626; UZI_ID: UZI-010127
Temperature	308 °C