5-nitro-2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]benzenesulfonic acid

SpectraBase Compound ID	CAA4PApzUWa
InChI	InChI=1S/C20H25NO6S/c1-19(2,3)13-20(4,5)14-6-9-16(10-7-14)27-17-11-8-15(21(22)23)12-18(17)28(24,25)26/h6-12H,13H2,1-5H3,(H,24,25,26)
InChIKey	WCDGUQYZUYGEED-UHFFFAOYSA-N Google Search
Mol Weight	407.48 g/mol
Molecular Formula	C20H25NO6S
Exact Mass	407.140259 g/mol

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SpectraBase Spectrum ID	8dIwXxzOJIs
Name	5-nitro-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]benzenesulfonic acid
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/C20H25NO6S/c1-19(2,3)13-20(4,5)14-6-9-16(10-7-14)27-17-11-8-15(21(22)23)12-18(17)28(24,25)26/h6-12H,13H2,1-5H3,(H,24,25,26)
InChIKey	WCDGUQYZUYGEED-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_16219
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: 987/00003405; Labnumber: 987/00003405218841; VK_ID: VK-016224
Temperature	308 °C