2-({4-[(tert-Butoxycarbonyl)amino]phenyl}thio)acetic acid

SpectraBase Compound ID	Lo5ZAIfzhbX
InChI	InChI=1S/C13H17NO4S/c1-13(2,3)18-12(17)14-9-4-6-10(7-5-9)19-8-11(15)16/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey	PGOGKMQWOYDFII-UHFFFAOYSA-N Google Search
Mol Weight	283.34 g/mol
Molecular Formula	C13H17NO4S
Exact Mass	283.087829 g/mol

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SpectraBase Spectrum ID	F0qVOcm0bbn
Name	acetic acid, [[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]thio]-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	283.087829201 u
Formula	C13H17NO4S
InChI	InChI=1S/C13H17NO4S/c1-13(2,3)18-12(17)14-9-4-6-10(7-5-9)19-8-11(15)16/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey	PGOGKMQWOYDFII-UHFFFAOYSA-N
Molecular Weight	283.342 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_13178
Solvent	DMSO-d6
Source	Vendor ID: NMR/10301273; Lab Info: LP; Lab Number: LP-0503403