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	C8oxYyzDhap
Name	2-({4-[(tert-Butoxycarbonyl)amino]phenyl}thio)acetic acid
Alternate Name(s)	(4-tert-Butoxycarbonylamino-phenylsulfanyl)-acetic acid 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfanylacetic acid 2-[4-(tert-butoxycarbonylamino)phenyl]sulfanylacetic acid 2-[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]thio]acetic acid 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfanylethanoic acid 2-[[4-(tert-butoxycarbonylamino)phenyl]thio]acetic acid
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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
SMILES	N(C(OC(C)(C)C)=O)c1ccc(SCC(=O)O)cc1
SPLASH	splash10-0a6r-9440000000-1c33a7acca93116ea3e9
Source of Spectrum	F-59-2896-3c
Wiley ID	1677759