[(4-Nitrophenyl)methylthio]ethanoic acid

SpectraBase Compound ID	65SHkc0JrVh
InChI	InChI=1S/C9H9NO4S/c11-9(12)6-15-5-7-1-3-8(4-2-7)10(13)14/h1-4H,5-6H2,(H,11,12)
InChIKey	VBACFDMVHJLUGP-UHFFFAOYSA-N Google Search
Mol Weight	227.23 g/mol
Molecular Formula	C9H9NO4S
Exact Mass	227.025229 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	FKfqLnwkssX
Name	[(4-nitrobenzyl)sulfanyl]acetic acid
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C9H9NO4S/c11-9(12)6-15-5-7-1-3-8(4-2-7)10(13)14/h1-4H,5-6H2,(H,11,12)
InChIKey	VBACFDMVHJLUGP-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_2535
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: 111557; Labnumber: EX00112000; VK_ID: VK-002536
Temperature	308 °C