1-Benzyl 4-Methyl 2-[(p-bromobenzenesulfonyl)amino]-5-[(t-butoxycaronyl)amino]-terephthalate

SpectraBase Compound ID	DSkwgXC2MLf
InChI	InChI=1S/C27H27BrN2O8S/c1-27(2,3)38-26(33)29-22-14-21(25(32)37-16-17-8-6-5-7-9-17)23(15-20(22)24(31)36-4)30-39(34,35)19-12-10-18(28)11-13-19/h5-15,30H,16H2,1-4H3,(H,29,33)
InChIKey	DDJWUNTYUFAISI-UHFFFAOYSA-N Google Search
Mol Weight	619.48 g/mol
Molecular Formula	C27H27BrN2O8S
Exact Mass	618.06715 g/mol

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SpectraBase Spectrum ID	ArgPysqItKz
Name	1-Benzyl 4-methyl 2-[(p-bromobenzenesulfonyl)amino]-5-[(T-butoxycaronyl)amino]-terephthalate
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	618.067150003 u
Formula	C27H27BrN2O8S
InChI	InChI=1S/C27H27BrN2O8S/c1-27(2,3)38-26(33)29-22-14-21(25(32)37-16-17-8-6-5-7-9-17)23(15-20(22)24(31)36-4)30-39(34,35)19-12-10-18(28)11-13-19/h5-15,30H,16H2,1-4H3,(H,29,33)
InChIKey	DDJWUNTYUFAISI-UHFFFAOYSA-N
Molecular Weight	619.483 g/mol
SMILES	C=1(NS(C=2C=CC(Br)=CC2)(=O)=O)C(=CC(=C(C1)C(=O)OC)NC(OC(C)(C)C)=O)C(OCC1=CC=CC=C1)=O