benzoic acid, 3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-, 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl ester

SpectraBase Compound ID	9ricJTp2Lf2
InChI	InChI=1S/C26H26N4O4S/c1-19-13-14-25(24(17-19)30-27-22-11-4-5-12-23(22)28-30)34-26(31)20-9-8-10-21(18-20)35(32,33)29-15-6-2-3-7-16-29/h4-5,8-14,17-18H,2-3,6-7,15-16H2,1H3
InChIKey	HLXXLOOVCCVEGP-UHFFFAOYSA-N Google Search
Mol Weight	490.58 g/mol
Molecular Formula	C26H26N4O4S
Exact Mass	490.167477 g/mol

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SpectraBase Spectrum ID	D6PYp51ueeA
Name	benzoic acid, 3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-, 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl ester
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/C26H26N4O4S/c1-19-13-14-25(24(17-19)30-27-22-11-4-5-12-23(22)28-30)34-26(31)20-9-8-10-21(18-20)35(32,33)29-15-6-2-3-7-16-29/h4-5,8-14,17-18H,2-3,6-7,15-16H2,1H3
InChIKey	HLXXLOOVCCVEGP-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_8516_6944
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: ZI/7035680; Labnumber: SP-0001501; IOH_ID: IOH-013948